6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine

C16H23N5 — CID 80940280

IUPAC6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NC(C)c2cccnc2)n1
InChIInChI=1S/C16H23N5/c1-4-7-14-20-15(18-5-2)10-16(21-14)19-12(3)13-8-6-9-17-11-13/h6,8-12H,4-5,7H2,1-3H3,(H2,18,19,20,21)
InChIKeyDWIWILXBLURDKU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.43
Rot. Bonds7

About 6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine

6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80940280) 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-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80940280
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NC(C)c2cccnc2)n1
InChIInChI=1S/C16H23N5/c1-4-7-14-20-15(18-5-2)10-16(21-14)19-12(3)13-8-6-9-17-11-13/h6,8-12H,4-5,7H2,1-3H3,(H2,18,19,20,21)
InChIKeyDWIWILXBLURDKU-UHFFFAOYSA-N
XLogP3.43
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80960493
N-ethyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737131
6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941712
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942940
N-methyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737132
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968080
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (CID 80940280) is 6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NC(C)c2cccnc2)n1.
What is the InChIKey of 6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is DWIWILXBLURDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-7-14-20-15(18-5-2)10-16(21-14)19-12(3)13-8-6-9-17-11-13/h6,8-12H,4-5,7H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.43, 7 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-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80940280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).