6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine

C10H13ClN6 — CID 104695947

IUPAC6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCn1nccc1CCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H13ClN6/c1-17-7(3-5-14-17)2-4-13-9-6-8(11)15-10(12)16-9/h3,5-6H,2,4H2,1H3,(H3,12,13,15,16)
InChIKeyXYTUSNRBUDDEMF-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.10
Rot. Bonds4

About 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine

6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 104695947) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID104695947
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCn1nccc1CCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H13ClN6/c1-17-7(3-5-14-17)2-4-13-9-6-8(11)15-10(12)16-9/h3,5-6H,2,4H2,1H3,(H3,12,13,15,16)
InChIKeyXYTUSNRBUDDEMF-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 103009998
2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 104925404
4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 103012384
5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 103012638
6-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidin-4-amine
CID 103012689
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
6-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80830403
6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 103012620
3-chloro-5-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107365450
2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 103007006
2-N,2-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 103012622

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 104695947) is 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is Cn1nccc1CCNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is XYTUSNRBUDDEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-17-7(3-5-14-17)2-4-13-9-6-8(11)15-10(12)16-9/h3,5-6H,2,4H2,1H3,(H3,12,13,15,16).
What are the key properties of 6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 252.71 g/mol, XLogP of 1.10, 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-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 104695947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).