N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C18H29N5O2S — CID 135577481

IUPACN,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESNc1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)[nH]c(=O)c1N
InChIInChI=1S/C18H29N5O2S/c19-15-16(20)21-18(22-17(15)25)26-11-14(24)23(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11,19H2,(H3,20,21,22,25)
InChIKeySUISANGXCDYTPX-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.52
Rot. Bonds5

About N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135577481) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135577481
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC NameN,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESNc1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)[nH]c(=O)c1N
InChIInChI=1S/C18H29N5O2S/c19-15-16(20)21-18(22-17(15)25)26-11-14(24)23(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11,19H2,(H3,20,21,22,25)
InChIKeySUISANGXCDYTPX-UHFFFAOYSA-N
XLogP2.52
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135577481) is N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Nc1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)[nH]c(=O)c1N.
What is the InChIKey of N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is SUISANGXCDYTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c19-15-16(20)21-18(22-17(15)25)26-11-14(24)23(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11,19H2,(H3,20,21,22,25).
What are the key properties of N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135577481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).