6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H25N5O — CID 69180833

IUPAC6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CNc2ncnc3[nH]c(-c4ccc(CN(C)C)cc4)cc23)c1
InChIInChI=1S/C23H25N5O/c1-28(2)14-16-7-9-18(10-8-16)21-12-20-22(25-15-26-23(20)27-21)24-13-17-5-4-6-19(11-17)29-3/h4-12,15H,13-14H2,1-3H3,(H2,24,25,26,27)
InChIKeyLCOYUZKCVHQJFW-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.31
Rot. Bonds7

About 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 69180833) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID69180833
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CNc2ncnc3[nH]c(-c4ccc(CN(C)C)cc4)cc23)c1
InChIInChI=1S/C23H25N5O/c1-28(2)14-16-7-9-18(10-8-16)21-12-20-22(25-15-26-23(20)27-21)24-13-17-5-4-6-19(11-17)29-3/h4-12,15H,13-14H2,1-3H3,(H2,24,25,26,27)
InChIKeyLCOYUZKCVHQJFW-UHFFFAOYSA-N
XLogP4.31
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one
CID 10199417
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 43747201
N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513273
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(3-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10297042
6-[4-(2-aminopropan-2-yl)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69180851
6,7,8-trimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
CID 18796791
4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 56934984
ethane;6-(3-methoxyphenyl)-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080945
N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424163
6-[4-[4-(benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]anilino]hexanamide
CID 143645665
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 69180833) is 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1cccc(CNc2ncnc3[nH]c(-c4ccc(CN(C)C)cc4)cc23)c1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LCOYUZKCVHQJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-28(2)14-16-7-9-18(10-8-16)21-12-20-22(25-15-26-23(20)27-21)24-13-17-5-4-6-19(11-17)29-3/h4-12,15H,13-14H2,1-3H3,(H2,24,25,26,27).
What are the key properties of 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 387.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69180833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).