6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

C16H23N5 — CID 80938770

IUPAC6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCCc2ccccn2)n1
InChIInChI=1S/C16H23N5/c1-3-7-14-20-15(17-4-2)12-16(21-14)19-11-9-13-8-5-6-10-18-13/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3,(H2,17,19,20,21)
InChIKeyBGQWMJLEFKWVSJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.91
Rot. Bonds8

About 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine

6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80938770) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80938770
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NCCc2ccccn2)n1
InChIInChI=1S/C16H23N5/c1-3-7-14-20-15(17-4-2)12-16(21-14)19-11-9-13-8-5-6-10-18-13/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3,(H2,17,19,20,21)
InChIKeyBGQWMJLEFKWVSJ-UHFFFAOYSA-N
XLogP2.91
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80945511
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
6-N-methyl-2-methylsulfanyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80765777
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416
2-chloro-4-N-ethyl-4-N-methyl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 143437660
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
4-N-propan-2-yl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 115265848
6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80777060
6-hydrazinyl-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80944141

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine (CID 80938770) is 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NCCc2ccccn2)n1.
What is the InChIKey of 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is BGQWMJLEFKWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-7-14-20-15(17-4-2)12-16(21-14)19-11-9-13-8-5-6-10-18-13/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80938770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).