2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine

C14H21N3S — CID 65144022

IUPAC2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine
SMILESNc1cc(C2CC2)nc(CSC2CCCCC2)n1
InChIInChI=1S/C14H21N3S/c15-13-8-12(10-6-7-10)16-14(17-13)9-18-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H2,15,16,17)
InChIKeyWOMYFTRRTCEQNI-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.50
Rot. Bonds4

About 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine

2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine (PubChem CID 65144022) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine
PubChem CID65144022
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine
SMILESNc1cc(C2CC2)nc(CSC2CCCCC2)n1
InChIInChI=1S/C14H21N3S/c15-13-8-12(10-6-7-10)16-14(17-13)9-18-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H2,15,16,17)
InChIKeyWOMYFTRRTCEQNI-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-6-cyclopropylpyrimidin-4-amine;hydrochloride
CID 82393941
4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65140552
4-cyclohexyl-6-(cyclohexylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65144233
4-(cyclohexylsulfanylmethyl)-6-cyclopentyl-1,3,5-triazin-2-amine
CID 65144232
2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine
CID 65139971
2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine
CID 114207246
2-benzyl-6-cyclopropylpyrimidin-4-amine
CID 63353479
4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodo-6-methylpyrimidine
CID 66292323
4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 65140403
[2-(cyclopentylsulfanylmethyl)pyrimidin-4-yl]methanamine
CID 65140695
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65144269
6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150491

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine (CID 65144022) is 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine is Nc1cc(C2CC2)nc(CSC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine?
The InChIKey is WOMYFTRRTCEQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c15-13-8-12(10-6-7-10)16-14(17-13)9-18-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H2,15,16,17).
What are the key properties of 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine?
2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine has a molecular weight of 263.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 65144022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).