1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine

C17H22N4O — CID 164630969

IUPAC1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine
SMILESc1cnc(N2CCC(N[C@H]3CCCc4occc43)CC2)nc1
InChIInChI=1S/C17H22N4O/c1-3-15(14-7-12-22-16(14)4-1)20-13-5-10-21(11-6-13)17-18-8-2-9-19-17/h2,7-9,12-13,15,20H,1,3-6,10-11H2/t15-/m0/s1
InChIKeyYNZXNGVTIXDFRL-HNNXBMFYSA-N
MW298.39 g/mol
LogP2.71
Rot. Bonds3

About 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine

1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine (PubChem CID 164630969) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine
PubChem CID164630969
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine
SMILESc1cnc(N2CCC(N[C@H]3CCCc4occc43)CC2)nc1
InChIInChI=1S/C17H22N4O/c1-3-15(14-7-12-22-16(14)4-1)20-13-5-10-21(11-6-13)17-18-8-2-9-19-17/h2,7-9,12-13,15,20H,1,3-6,10-11H2/t15-/m0/s1
InChIKeyYNZXNGVTIXDFRL-HNNXBMFYSA-N
XLogP2.71
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine with MolForge

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Related Compounds

(5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-amine
CID 11163942
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-pyrimidin-2-yl-amine
CID 11544316
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrimidin-2-yl-amine
CID 11573592
5,6-Dihydrofuro[2,3-h]quinazolin-2-amine
CID 1478697
5-{[4''-(2-furyl)-4,5''-bipyrimidin-2''-yl]amino}pyridin-2(1H)-one
CID 11544506
3-(5-ethylfuran-2-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141493002
1-[4-(furan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-(3-piperidin-1-ylpropyl)guanidine
CID 168299110
5-(furan-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325755
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-phenyl-pyrimidine
CID 10543695
1-(Cyclopropylmethyl)-5-[[4-(furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]pyridin-2-one
CID 16720104
5-[[4-(Furan-2-yl)-5-pyrimidin-4-ylpyrimidin-2-yl]amino]-1-methylpyridin-2-one
CID 16720106
N-[4-(2-furyl)phenyl]-1-[(2-methyl-5-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 24817424

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine?
The IUPAC name of 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine (CID 164630969) is 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine?
The canonical SMILES for 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine is c1cnc(N2CCC(N[C@H]3CCCc4occc43)CC2)nc1.
What is the InChIKey of 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine?
The InChIKey is YNZXNGVTIXDFRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-15(14-7-12-22-16(14)4-1)20-13-5-10-21(11-6-13)17-18-8-2-9-19-17/h2,7-9,12-13,15,20H,1,3-6,10-11H2/t15-/m0/s1.
What are the key properties of 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine?
1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]piperidin-4-amine is sourced from PubChem (CID 164630969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).