4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

C12H18N6 — CID 80816887

IUPAC4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCc1cnn(C)c1
InChIInChI=1S/C12H18N6/c1-8(2)10-11(13)15-7-16-12(10)14-4-9-5-17-18(3)6-9/h5-8H,4H2,1-3H3,(H3,13,14,15,16)
InChIKeyDRIMNPQXSVCUAX-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.53
Rot. Bonds4

About 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80816887) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80816887
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCc1cnn(C)c1
InChIInChI=1S/C12H18N6/c1-8(2)10-11(13)15-7-16-12(10)14-4-9-5-17-18(3)6-9/h5-8H,4H2,1-3H3,(H3,13,14,15,16)
InChIKeyDRIMNPQXSVCUAX-UHFFFAOYSA-N
XLogP1.53
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
4-N-(2-methylbutan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767834
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107465150
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968693

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 80816887) is 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NCc1cnn(C)c1.
What is the InChIKey of 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DRIMNPQXSVCUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8(2)10-11(13)15-7-16-12(10)14-4-9-5-17-18(3)6-9/h5-8H,4H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80816887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).