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

C10H13ClN6 — CID 103012638

IUPAC5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCn1nccc1CCNc1nc(N)ncc1Cl
InChIInChI=1S/C10H13ClN6/c1-17-7(3-5-15-17)2-4-13-9-8(11)6-14-10(12)16-9/h3,5-6H,2,4H2,1H3,(H3,12,13,14,16)
InChIKeyZVHSDTDTDKIIRY-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.10
Rot. Bonds4

About 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine

5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 103012638) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID103012638
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCn1nccc1CCNc1nc(N)ncc1Cl
InChIInChI=1S/C10H13ClN6/c1-17-7(3-5-15-17)2-4-13-9-8(11)6-14-10(12)16-9/h3,5-6H,2,4H2,1H3,(H3,12,13,14,16)
InChIKeyZVHSDTDTDKIIRY-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-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 104695947
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409
3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695941
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 130505088
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 103012620
6-N,2,5-trimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 103012590
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
CID 103004388

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 103012638) is 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is Cn1nccc1CCNc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ZVHSDTDTDKIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-17-7(3-5-15-17)2-4-13-9-8(11)6-14-10(12)16-9/h3,5-6H,2,4H2,1H3,(H3,12,13,14,16).
What are the key properties of 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine?
5-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 5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 103012638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).