N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine

C9H13N3S — CID 106972538

IUPACN-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCC2CC2)ncn1
InChIInChI=1S/C9H13N3S/c1-13-9-4-8(11-6-12-9)10-5-7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H,10,11,12)
InChIKeyOPKHXSHEVCKSKM-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.02
Rot. Bonds4

About N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine

N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972538) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972538
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCC2CC2)ncn1
InChIInChI=1S/C9H13N3S/c1-13-9-4-8(11-6-12-9)10-5-7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H,10,11,12)
InChIKeyOPKHXSHEVCKSKM-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130861
N-[(4-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106125796
2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106972880
N-[(2-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106973738
N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972899
N-cyclopentyl-6-methylsulfanylpyrimidin-4-amine
CID 106972534
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine
CID 126849132
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine (CID 106972538) is N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NCC2CC2)ncn1.
What is the InChIKey of N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is OPKHXSHEVCKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-13-9-4-8(11-6-12-9)10-5-7-2-3-7/h4,6-7H,2-3,5H2,1H3,(H,10,11,12).
What are the key properties of N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine?
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 195.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).