4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine

C12H19N7 — CID 50952687

IUPAC4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCC(C)Nc1cc(N(C)Cc2ccn[nH]2)nc(N)n1
InChIInChI=1S/C12H19N7/c1-8(2)15-10-6-11(17-12(13)16-10)19(3)7-9-4-5-14-18-9/h4-6,8H,7H2,1-3H3,(H,14,18)(H3,13,15,16,17)
InChIKeyNTMQNEVNLXJAKA-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.24
Rot. Bonds5

About 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine

4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 50952687) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID50952687
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCC(C)Nc1cc(N(C)Cc2ccn[nH]2)nc(N)n1
InChIInChI=1S/C12H19N7/c1-8(2)15-10-6-11(17-12(13)16-10)19(3)7-9-4-5-14-18-9/h4-6,8H,7H2,1-3H3,(H,14,18)(H3,13,15,16,17)
InChIKeyNTMQNEVNLXJAKA-UHFFFAOYSA-N
XLogP1.24
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine (CID 50952687) is 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine is CC(C)Nc1cc(N(C)Cc2ccn[nH]2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is NTMQNEVNLXJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-8(2)15-10-6-11(17-12(13)16-10)19(3)7-9-4-5-14-18-9/h4-6,8H,7H2,1-3H3,(H,14,18)(H3,13,15,16,17).
What are the key properties of 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine?
4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 261.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N-propan-2-yl-4-N-(1H-pyrazol-5-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 50952687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).