2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine

C14H20N6 — CID 80966249

IUPAC2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2cnn(C)c2)nc(C2CC2)n1
InChIInChI=1S/C14H20N6/c1-15-12-7-13(19-14(18-12)11-3-4-11)16-6-5-10-8-17-20(2)9-10/h7-9,11H,3-6H2,1-2H3,(H2,15,16,18,19)
InChIKeyPUADYGAPTWUCDC-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.78
Rot. Bonds6

About 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine

2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80966249) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80966249
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2cnn(C)c2)nc(C2CC2)n1
InChIInChI=1S/C14H20N6/c1-15-12-7-13(19-14(18-12)11-3-4-11)16-6-5-10-8-17-20(2)9-10/h7-9,11H,3-6H2,1-2H3,(H2,15,16,18,19)
InChIKeyPUADYGAPTWUCDC-UHFFFAOYSA-N
XLogP1.78
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80853557
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
2-cyclopropyl-6-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80956267
6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267
2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80957330
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80853005
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133400520
N-methyl-6-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 106715810
6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720907

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine (CID 80966249) is 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine is CNc1cc(NCCc2cnn(C)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is PUADYGAPTWUCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-15-12-7-13(19-14(18-12)11-3-4-11)16-6-5-10-8-17-20(2)9-10/h7-9,11H,3-6H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 272.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80966249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).