6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

C14H22N6 — CID 80809334

IUPAC6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCCn1cccn1
InChIInChI=1S/C14H22N6/c1-3-6-12-13(15-4-2)17-11-18-14(12)16-8-10-20-9-5-7-19-20/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyOUIRYZSSLNIOSR-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.17
Rot. Bonds8

About 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine

6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80809334) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID80809334
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCCn1cccn1
InChIInChI=1S/C14H22N6/c1-3-6-12-13(15-4-2)17-11-18-14(12)16-8-10-20-9-5-7-19-20/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H2,15,16,17,18)
InChIKeyOUIRYZSSLNIOSR-UHFFFAOYSA-N
XLogP2.17
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-5-nitro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809506
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 103867495
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809242
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine
CID 64590087
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80908147
N-(2-pyrazol-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446309
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
6-N-ethyl-5-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434090

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine (CID 80809334) is 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1NCCn1cccn1.
What is the InChIKey of 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is OUIRYZSSLNIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-6-12-13(15-4-2)17-11-18-14(12)16-8-10-20-9-5-7-19-20/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80809334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).