6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine

C10H13ClN6 — CID 80736024

IUPAC6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCC(Cn1ccnc1)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H13ClN6/c1-7(5-17-3-2-13-6-17)14-9-4-8(11)15-10(12)16-9/h2-4,6-7H,5H2,1H3,(H3,12,14,15,16)
InChIKeyCQLQLRAYPPWYTC-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.41
Rot. Bonds4

About 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine

6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80736024) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID80736024
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCC(Cn1ccnc1)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H13ClN6/c1-7(5-17-3-2-13-6-17)14-9-4-8(11)15-10(12)16-9/h2-4,6-7H,5H2,1H3,(H3,12,14,15,16)
InChIKeyCQLQLRAYPPWYTC-UHFFFAOYSA-N
XLogP1.41
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
CID 83266216
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782682
2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
CID 113378590
5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79727326
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine (CID 80736024) is 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine is CC(Cn1ccnc1)Nc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is CQLQLRAYPPWYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-7(5-17-3-2-13-6-17)14-9-4-8(11)15-10(12)16-9/h2-4,6-7H,5H2,1H3,(H3,12,14,15,16).
What are the key properties of 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine?
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 252.71 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80736024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).