2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide

C13H20N4S — CID 107546828

IUPAC2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide
SMILESCCCN(CC1CC1)c1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C13H20N4S/c1-3-6-17(8-10-4-5-10)13-15-9(2)7-11(16-13)12(14)18/h7,10H,3-6,8H2,1-2H3,(H2,14,18)
InChIKeyHQPNBSXSIJFLQU-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.05
Rot. Bonds6

About 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide

2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide (PubChem CID 107546828) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide
PubChem CID107546828
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide
SMILESCCCN(CC1CC1)c1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C13H20N4S/c1-3-6-17(8-10-4-5-10)13-15-9(2)7-11(16-13)12(14)18/h7,10H,3-6,8H2,1-2H3,(H2,14,18)
InChIKeyHQPNBSXSIJFLQU-UHFFFAOYSA-N
XLogP2.05
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[cyclobutylmethyl(ethyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107548268
2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546845
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
N'-(4,6-dimethylpyrimidin-2-yl)-N'-propylethane-1,2-diamine
CID 63766271
3-[cyclopropylmethyl(propyl)amino]pyrazine-2-carbothioamide
CID 55103092
6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 116796564
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-ethylamino]-N-ethylacetamide
CID 107547005
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide
CID 107547935
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide (CID 107546828) is 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide is CCCN(CC1CC1)c1nc(C)cc(C(N)=S)n1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide?
The InChIKey is HQPNBSXSIJFLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-3-6-17(8-10-4-5-10)13-15-9(2)7-11(16-13)12(14)18/h7,10H,3-6,8H2,1-2H3,(H2,14,18).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide?
2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide is sourced from PubChem (CID 107546828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).