N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C20H31N7O — CID 172900373

IUPACN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nn(C)cc1CN1CCC(N(C)c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H31N7O/c1-16-17(14-24(2)23-16)15-26-8-5-18(6-9-26)25(3)19-4-7-21-20(22-19)27-10-12-28-13-11-27/h4,7,14,18H,5-6,8-13,15H2,1-3H3
InChIKeyNJZJKUQWDRTLQB-UHFFFAOYSA-N
MW385.52 g/mol
LogP1.46
Rot. Bonds5

About N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172900373) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172900373
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC NameN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nn(C)cc1CN1CCC(N(C)c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H31N7O/c1-16-17(14-24(2)23-16)15-26-8-5-18(6-9-26)25(3)19-4-7-21-20(22-19)27-10-12-28-13-11-27/h4,7,14,18H,5-6,8-13,15H2,1-3H3
InChIKeyNJZJKUQWDRTLQB-UHFFFAOYSA-N
XLogP1.46
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902937
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
N-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902893
N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648749
N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902455
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901800
N-[1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 175650362
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892594
N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172893196
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
N-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172903374
N-methyl-2-morpholin-4-yl-N-[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902619

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 172900373) is N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1nn(C)cc1CN1CCC(N(C)c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is NJZJKUQWDRTLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-16-17(14-24(2)23-16)15-26-8-5-18(6-9-26)25(3)19-4-7-21-20(22-19)27-10-12-28-13-11-27/h4,7,14,18H,5-6,8-13,15H2,1-3H3.
What are the key properties of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 385.52 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172900373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).