4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine

C12H18N6 — CID 39767253

IUPAC4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1cc(CN(C)c2cc(N(C)C)ncn2)n[nH]1
InChIInChI=1S/C12H18N6/c1-9-5-10(16-15-9)7-18(4)12-6-11(17(2)3)13-8-14-12/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyBDQDWJXLGPOBKY-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.21
Rot. Bonds4

About 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine

4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 39767253) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID39767253
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCc1cc(CN(C)c2cc(N(C)C)ncn2)n[nH]1
InChIInChI=1S/C12H18N6/c1-9-5-10(16-15-9)7-18(4)12-6-11(17(2)3)13-8-14-12/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyBDQDWJXLGPOBKY-UHFFFAOYSA-N
XLogP1.21
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 39767253) is 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine is Cc1cc(CN(C)c2cc(N(C)C)ncn2)n[nH]1.
What is the InChIKey of 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is BDQDWJXLGPOBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-9-5-10(16-15-9)7-18(4)12-6-11(17(2)3)13-8-14-12/h5-6,8H,7H2,1-4H3,(H,15,16).
What are the key properties of 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-trimethyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 39767253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).