2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine

C16H22N4S — CID 80992318

IUPAC2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1ccsc1CNc1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C16H22N4S/c1-4-11-7-8-21-13(11)9-18-15-10(2)14(17-3)19-16(20-15)12-5-6-12/h7-8,12H,4-6,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyVZAXMIGDMGHDNS-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.94
Rot. Bonds6

About 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80992318) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80992318
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1ccsc1CNc1nc(C2CC2)nc(NC)c1C
InChIInChI=1S/C16H22N4S/c1-4-11-7-8-21-13(11)9-18-15-10(2)14(17-3)19-16(20-15)12-5-6-12/h7-8,12H,4-6,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyVZAXMIGDMGHDNS-UHFFFAOYSA-N
XLogP3.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985468
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
2-cyclopropyl-6-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958956
2-tert-butyl-6-N,5-dimethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992792
2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106378820
4-N-[(3-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80854992
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 81000587
2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981560
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992230
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992851
2-cyclopropyl-6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80984821

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80992318) is 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1ccsc1CNc1nc(C2CC2)nc(NC)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is VZAXMIGDMGHDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-4-11-7-8-21-13(11)9-18-15-10(2)14(17-3)19-16(20-15)12-5-6-12/h7-8,12H,4-6,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 302.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).