5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine

C14H19N5 — CID 97187439

IUPAC5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1N[C@@H](CC)c1cccnc1
InChIInChI=1S/C14H19N5/c1-3-10-9-17-14(15)19-13(10)18-12(4-2)11-6-5-7-16-8-11/h5-9,12H,3-4H2,1-2H3,(H3,15,17,18,19)/t12-/m0/s1
InChIKeyABBDVXSIXLUXJT-LBPRGKRZSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds5

About 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine

5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine (PubChem CID 97187439) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine
PubChem CID97187439
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1N[C@@H](CC)c1cccnc1
InChIInChI=1S/C14H19N5/c1-3-10-9-17-14(15)19-13(10)18-12(4-2)11-6-5-7-16-8-11/h5-9,12H,3-4H2,1-2H3,(H3,15,17,18,19)/t12-/m0/s1
InChIKeyABBDVXSIXLUXJT-LBPRGKRZSA-N
XLogP2.58
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
3-fluoro-2-methyl-N-(1-pyridin-3-ylpropyl)-1,5-naphthyridin-4-amine
CID 170942620
N-(1-pyridin-3-ylpropyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165034557
2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine
CID 42609065
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 115799898
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-3-ylpropyl)pyrimidine-2,4-diamine
CID 68603118
5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-3-ylpropyl)pyrimidine-2,4-diamine
CID 68603037
6-cyclopentyl-1-methyl-N-[(1S)-1-pyridin-3-ylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872463
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol
CID 123675119
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine (CID 97187439) is 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine is CCc1cnc(N)nc1N[C@@H](CC)c1cccnc1.
What is the InChIKey of 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine?
The InChIKey is ABBDVXSIXLUXJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-10-9-17-14(15)19-13(10)18-12(4-2)11-6-5-7-16-8-11/h5-9,12H,3-4H2,1-2H3,(H3,15,17,18,19)/t12-/m0/s1.
What are the key properties of 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine?
5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 97187439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).