5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine

C13H15N7S — CID 141406596

IUPAC5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)(Nc1ccnc(-c2cnc(N)s2)n1)n1ccnc1
InChIInChI=1S/C13H15N7S/c1-13(2,20-6-5-15-8-20)19-10-3-4-16-11(18-10)9-7-17-12(14)21-9/h3-8H,1-2H3,(H2,14,17)(H,16,18,19)
InChIKeyKOBUIXQQSHRNEK-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.18
Rot. Bonds4

About 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine

5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 141406596) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine
PubChem CID141406596
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)(Nc1ccnc(-c2cnc(N)s2)n1)n1ccnc1
InChIInChI=1S/C13H15N7S/c1-13(2,20-6-5-15-8-20)19-10-3-4-16-11(18-10)9-7-17-12(14)21-9/h3-8H,1-2H3,(H2,14,17)(H,16,18,19)
InChIKeyKOBUIXQQSHRNEK-UHFFFAOYSA-N
XLogP2.18
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-(4-Methylpiperazin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934607
2-{[6-(3-Aminopyrrolidin-1-yl)pyrimidin-4-yl]amino}-1,3-thiazole-5-carbonitrile
CID 21934707
(S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methylthiazol-2-yl)pyrazine-2,6-diamine
CID 25171662
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933043
2-(1,3-Thiazol-5-yl)pyrimidin-4-amine
CID 80477993
N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
2-[4-[(2S)-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
CID 164634370
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
CID 69190563
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
CID 69190565
1-pyrimidin-2-yl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 156830632
4-Imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine
CID 106784396
5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120905364

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine (CID 141406596) is 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine is CC(C)(Nc1ccnc(-c2cnc(N)s2)n1)n1ccnc1.
What is the InChIKey of 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is KOBUIXQQSHRNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-13(2,20-6-5-15-8-20)19-10-3-4-16-11(18-10)9-7-17-12(14)21-9/h3-8H,1-2H3,(H2,14,17)(H,16,18,19).
What are the key properties of 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine?
5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 301.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-imidazol-1-ylpropan-2-ylamino)pyrimidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 141406596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).