4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine

C10H13N5S — CID 80837709

IUPAC4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
SMILESCCC(Nc1cc(N)ncn1)c1nccs1
InChIInChI=1S/C10H13N5S/c1-2-7(10-12-3-4-16-10)15-9-5-8(11)13-6-14-9/h3-7H,2H2,1H3,(H3,11,13,14,15)
InChIKeyGACUNTHVHXCHAJ-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.08
Rot. Bonds4

About 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine

4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine (PubChem CID 80837709) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
PubChem CID80837709
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
SMILESCCC(Nc1cc(N)ncn1)c1nccs1
InChIInChI=1S/C10H13N5S/c1-2-7(10-12-3-4-16-10)15-9-5-8(11)13-6-14-9/h3-7H,2H2,1H3,(H3,11,13,14,15)
InChIKeyGACUNTHVHXCHAJ-UHFFFAOYSA-N
XLogP2.08
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 66328037
4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772193
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 97196496
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80845214
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
CID 114767731
6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine
CID 80845103
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783
6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine
CID 114785367

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine (CID 80837709) is 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine is CCC(Nc1cc(N)ncn1)c1nccs1.
What is the InChIKey of 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The InChIKey is GACUNTHVHXCHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-7(10-12-3-4-16-10)15-9-5-8(11)13-6-14-9/h3-7H,2H2,1H3,(H3,11,13,14,15).
What are the key properties of 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine has a molecular weight of 235.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80837709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).