6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

C13H19N5S — CID 80949872

IUPAC6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCc2cscn2)n1
InChIInChI=1S/C13H19N5S/c1-3-5-11-17-12(14-4-2)6-13(18-11)15-7-10-8-19-9-16-10/h6,8-9H,3-5,7H2,1-2H3,(H2,14,15,17,18)
InChIKeyFBFOQZWVPOMQDP-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.93
Rot. Bonds7

About 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80949872) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80949872
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCc2cscn2)n1
InChIInChI=1S/C13H19N5S/c1-3-5-11-17-12(14-4-2)6-13(18-11)15-7-10-8-19-9-16-10/h6,8-9H,3-5,7H2,1-2H3,(H2,14,15,17,18)
InChIKeyFBFOQZWVPOMQDP-UHFFFAOYSA-N
XLogP2.93
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718546
2-ethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80934774
6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80950446
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
2-N-propyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718545
2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80959620
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80846634
6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 115915607
2-N-ethyl-6-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718549
6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 80949872) is 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NCc2cscn2)n1.
What is the InChIKey of 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is FBFOQZWVPOMQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-3-5-11-17-12(14-4-2)6-13(18-11)15-7-10-8-19-9-16-10/h6,8-9H,3-5,7H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80949872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).