N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C20H27N5O — CID 133300410

IUPACN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NCc3ccc(OCC4CC4)nc3)ncn2)C1
InChIInChI=1S/C20H27N5O/c1-15-3-2-8-25(12-15)19-9-18(23-14-24-19)21-10-17-6-7-20(22-11-17)26-13-16-4-5-16/h6-7,9,11,14-16H,2-5,8,10,12-13H2,1H3,(H,21,23,24)
InChIKeyNHBIGIVKJNUPCY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.51
Rot. Bonds7

About N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 133300410) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID133300410
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NCc3ccc(OCC4CC4)nc3)ncn2)C1
InChIInChI=1S/C20H27N5O/c1-15-3-2-8-25(12-15)19-9-18(23-14-24-19)21-10-17-6-7-20(22-11-17)26-13-16-4-5-16/h6-7,9,11,14-16H,2-5,8,10,12-13H2,1H3,(H,21,23,24)
InChIKeyNHBIGIVKJNUPCY-UHFFFAOYSA-N
XLogP3.51
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133309531
[(2S)-1-[6-[(6-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763878
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133298860
[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133292882
N-[(1-methoxycyclobutyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133459927
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 127299861

Frequently Asked Questions

What is the IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 133300410) is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CC1CCCN(c2cc(NCc3ccc(OCC4CC4)nc3)ncn2)C1.
What is the InChIKey of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is NHBIGIVKJNUPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-3-2-8-25(12-15)19-9-18(23-14-24-19)21-10-17-6-7-20(22-11-17)26-13-16-4-5-16/h6-7,9,11,14-16H,2-5,8,10,12-13H2,1H3,(H,21,23,24).
What are the key properties of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 133300410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).