N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

C15H19N5O — CID 122282422

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C15H19N5O/c1-21-15-5-4-12(10-17-15)9-16-13-8-14(19-11-18-13)20-6-2-3-7-20/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,16,18,19)
InChIKeyJYQVEEDNABPQHE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.09
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 122282422) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID122282422
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C15H19N5O/c1-21-15-5-4-12(10-17-15)9-16-13-8-14(19-11-18-13)20-6-2-3-7-20/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,16,18,19)
InChIKeyJYQVEEDNABPQHE-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

[(2S)-1-[6-[(6-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763878
6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 55140338
6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282197
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133300410
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43755835
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 122282422) is N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is COc1ccc(CNc2cc(N3CCCC3)ncn2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JYQVEEDNABPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-15-5-4-12(10-17-15)9-16-13-8-14(19-11-18-13)20-6-2-3-7-20/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,16,18,19).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-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 N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 122282422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).