2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

C11H14ClN5 — CID 164552882

IUPAC2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C11H14ClN5/c1-7-8(2)16-11(12)17-10(7)13-4-3-9-5-14-15-6-9/h5-6H,3-4H2,1-2H3,(H,14,15)(H,13,16,17)
InChIKeyIINOHFVEFXDQBZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.12
Rot. Bonds4

About 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine

2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 164552882) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID164552882
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C11H14ClN5/c1-7-8(2)16-11(12)17-10(7)13-4-3-9-5-14-15-6-9/h5-6H,3-4H2,1-2H3,(H,14,15)(H,13,16,17)
InChIKeyIINOHFVEFXDQBZ-UHFFFAOYSA-N
XLogP2.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 164552882) is 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is Cc1nc(Cl)nc(NCCc2cn[nH]c2)c1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is IINOHFVEFXDQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7-8(2)16-11(12)17-10(7)13-4-3-9-5-14-15-6-9/h5-6H,3-4H2,1-2H3,(H,14,15)(H,13,16,17).
What are the key properties of 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine?
2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 164552882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).