4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

C12H18N6 — CID 70312889

IUPAC4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCCNc1[nH]ncc1-c1ccnc(NC(C)C)n1
InChIInChI=1S/C12H18N6/c1-4-13-11-9(7-15-18-11)10-5-6-14-12(17-10)16-8(2)3/h5-8H,4H2,1-3H3,(H2,13,15,18)(H,14,16,17)
InChIKeyJOBCDLRDYHUQOC-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.12
Rot. Bonds5

About 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 70312889) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID70312889
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCCNc1[nH]ncc1-c1ccnc(NC(C)C)n1
InChIInChI=1S/C12H18N6/c1-4-13-11-9(7-15-18-11)10-5-6-14-12(17-10)16-8(2)3/h5-8H,4H2,1-3H3,(H2,13,15,18)(H,14,16,17)
InChIKeyJOBCDLRDYHUQOC-UHFFFAOYSA-N
XLogP2.12
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (CID 70312889) is 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is CCNc1[nH]ncc1-c1ccnc(NC(C)C)n1.
What is the InChIKey of 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is JOBCDLRDYHUQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-13-11-9(7-15-18-11)10-5-6-14-12(17-10)16-8(2)3/h5-8H,4H2,1-3H3,(H2,13,15,18)(H,14,16,17).
What are the key properties of 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 246.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylamino)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 70312889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).