7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C18H29N5O2S — CID 110266016

IUPAC7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN2)nc2c1CCN(S(=O)(=O)C1CCCCC1)C2
InChIInChI=1S/C18H29N5O2S/c1-19-17-14-9-11-23(26(24,25)13-6-3-2-4-7-13)12-16(14)21-18(22-17)15-8-5-10-20-15/h13,15,20H,2-12H2,1H3,(H,19,21,22)
InChIKeyLRPQAEYTYZGQIH-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.96
Rot. Bonds4

About 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 110266016) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID110266016
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN2)nc2c1CCN(S(=O)(=O)C1CCCCC1)C2
InChIInChI=1S/C18H29N5O2S/c1-19-17-14-9-11-23(26(24,25)13-6-3-2-4-7-13)12-16(14)21-18(22-17)15-8-5-10-20-15/h13,15,20H,2-12H2,1H3,(H,19,21,22)
InChIKeyLRPQAEYTYZGQIH-UHFFFAOYSA-N
XLogP1.96
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 110266016) is 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CNc1nc(C2CCCN2)nc2c1CCN(S(=O)(=O)C1CCCCC1)C2.
What is the InChIKey of 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is LRPQAEYTYZGQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-19-17-14-9-11-23(26(24,25)13-6-3-2-4-7-13)12-16(14)21-18(22-17)15-8-5-10-20-15/h13,15,20H,2-12H2,1H3,(H,19,21,22).
What are the key properties of 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 379.53 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexylsulfonyl-N-methyl-2-pyrrolidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110266016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).