N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine

C27H40N6O — CID 54760479

IUPACN,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine
SMILESCc1nc(-c2ccc(N3CCC(N(C)C)CC3)cc2)nc2c1CCN2CCCN1CCOCC1
InChIInChI=1S/C27H40N6O/c1-21-25-11-16-33(13-4-12-31-17-19-34-20-18-31)27(25)29-26(28-21)22-5-7-24(8-6-22)32-14-9-23(10-15-32)30(2)3/h5-8,23H,4,9-20H2,1-3H3
InChIKeyXNURYYMBXXWQHY-UHFFFAOYSA-N
MW464.66 g/mol
LogP3.07
Rot. Bonds7

About N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine

N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine (PubChem CID 54760479) has the molecular formula C27H40N6O and a molecular weight of 464.66 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine
PubChem CID54760479
Molecular FormulaC27H40N6O
Molecular Weight464.66 g/mol
Exact Mass464.33
IUPAC NameN,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine
SMILESCc1nc(-c2ccc(N3CCC(N(C)C)CC3)cc2)nc2c1CCN2CCCN1CCOCC1
InChIInChI=1S/C27H40N6O/c1-21-25-11-16-33(13-4-12-31-17-19-34-20-18-31)27(25)29-26(28-21)22-5-7-24(8-6-22)32-14-9-23(10-15-32)30(2)3/h5-8,23H,4,9-20H2,1-3H3
InChIKeyXNURYYMBXXWQHY-UHFFFAOYSA-N
XLogP3.07
TPSA47.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.66
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
CID 54760478
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-pyrrolidin-1-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 54760105
6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
CID 71479252
1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-[4-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
CID 66585548
1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-[4-[4-(2,5-dimethylpyrrolidin-1-yl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 77148924
N,N-dimethyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-4-amine
CID 133381274
N-methyl-N-[[3-[4-(3-morpholin-4-ylpropyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine;hydrochloride
CID 170870784
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 68574706
4-methyl-6-(2-morpholin-4-ylethyl)-2-phenylpyrimidin-5-ol
CID 12595162
3-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11496178
N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 95803104

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine (CID 54760479) is N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine is Cc1nc(-c2ccc(N3CCC(N(C)C)CC3)cc2)nc2c1CCN2CCCN1CCOCC1.
What is the InChIKey of N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine?
The InChIKey is XNURYYMBXXWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O/c1-21-25-11-16-33(13-4-12-31-17-19-34-20-18-31)27(25)29-26(28-21)22-5-7-24(8-6-22)32-14-9-23(10-15-32)30(2)3/h5-8,23H,4,9-20H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine?
N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine has a molecular weight of 464.66 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[4-methyl-7-(3-morpholin-4-ylpropyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]phenyl]piperidin-4-amine is sourced from PubChem (CID 54760479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).