4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

C15H24N6 — CID 50970436

IUPAC4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCc1n[nH]c(C)c1CCCN(C)c1cc(N(C)C)ncn1
InChIInChI=1S/C15H24N6/c1-11-13(12(2)19-18-11)7-6-8-21(5)15-9-14(20(3)4)16-10-17-15/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyDLQPFKPERLDPLQ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.95
Rot. Bonds6

About 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 50970436) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID50970436
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCc1n[nH]c(C)c1CCCN(C)c1cc(N(C)C)ncn1
InChIInChI=1S/C15H24N6/c1-11-13(12(2)19-18-11)7-6-8-21(5)15-9-14(20(3)4)16-10-17-15/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyDLQPFKPERLDPLQ-UHFFFAOYSA-N
XLogP1.95
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (CID 50970436) is 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is Cc1n[nH]c(C)c1CCCN(C)c1cc(N(C)C)ncn1.
What is the InChIKey of 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is DLQPFKPERLDPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-11-13(12(2)19-18-11)7-6-8-21(5)15-9-14(20(3)4)16-10-17-15/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 50970436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).