N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine

C14H22N4O — CID 138033732

IUPACN-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1nc(NC[C@@H]2CCCO2)cc(N2CCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-2-6-18(7-3-1)14-9-13(16-11-17-14)15-10-12-5-4-8-19-12/h9,11-12H,1-8,10H2,(H,15,16,17)/t12-/m0/s1
InChIKeySYUWZCKJWJVBMS-LBPRGKRZSA-N
MW262.36 g/mol
LogP2.06
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 138033732) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID138033732
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1nc(NC[C@@H]2CCCO2)cc(N2CCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-2-6-18(7-3-1)14-9-13(16-11-17-14)15-10-12-5-4-8-19-12/h9,11-12H,1-8,10H2,(H,15,16,17)/t12-/m0/s1
InChIKeySYUWZCKJWJVBMS-LBPRGKRZSA-N
XLogP2.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
N-[(4-methylmorpholin-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133280984
6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 50830645
[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341627
N-(1,4-oxazepan-2-ylmethyl)-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 128844019
6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 77233652
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109343521
1-[6-(4-methylanilino)pyrimidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95101963
N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 127494212
3-(azepan-1-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112944417
4-N-(oxolan-2-ylmethyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857212

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 138033732) is N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine is c1nc(NC[C@@H]2CCCO2)cc(N2CCCCC2)n1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is SYUWZCKJWJVBMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-6-18(7-3-1)14-9-13(16-11-17-14)15-10-12-5-4-8-19-12/h9,11-12H,1-8,10H2,(H,15,16,17)/t12-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 138033732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).