2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

C16H22N4S — CID 80984435

IUPAC2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(NCc2ccsc2)c1C
InChIInChI=1S/C16H22N4S/c1-3-7-17-14-11(2)15(18-9-12-6-8-21-10-12)20-16(19-14)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyATTFSAWRPRDYEM-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.16
Rot. Bonds7

About 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80984435) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80984435
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C2CC2)nc(NCc2ccsc2)c1C
InChIInChI=1S/C16H22N4S/c1-3-7-17-14-11(2)15(18-9-12-6-8-21-10-12)20-16(19-14)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyATTFSAWRPRDYEM-UHFFFAOYSA-N
XLogP4.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985468
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970
6-hydrazinyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80913941
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991863
2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80984401
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992823
5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828035

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80984435) is 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CCCNc1nc(C2CC2)nc(NCc2ccsc2)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is ATTFSAWRPRDYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-3-7-17-14-11(2)15(18-9-12-6-8-21-10-12)20-16(19-14)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 302.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80984435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).