4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine

C15H19N5O — CID 18167056

IUPAC4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccnc(N3CCCC3)c2)n1
InChIInChI=1S/C15H19N5O/c1-21-14-5-7-17-15(19-14)18-11-12-4-6-16-13(10-12)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,17,18,19)
InChIKeyFDGJRRXJSHFMGJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.09
Rot. Bonds5

About 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine

4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 18167056) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID18167056
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccnc(N3CCCC3)c2)n1
InChIInChI=1S/C15H19N5O/c1-21-14-5-7-17-15(19-14)18-11-12-4-6-16-13(10-12)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,17,18,19)
InChIKeyFDGJRRXJSHFMGJ-UHFFFAOYSA-N
XLogP2.09
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111762016
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969451
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
CID 163366722
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111170079
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
CID 47030593
2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 35323775
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine (CID 18167056) is 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine is COc1ccnc(NCc2ccnc(N3CCCC3)c2)n1.
What is the InChIKey of 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is FDGJRRXJSHFMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-14-5-7-17-15(19-14)18-11-12-4-6-16-13(10-12)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,17,18,19).
What are the key properties of 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 18167056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).