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

C14H19N5O — CID 97147149

IUPAC5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NC[C@H](C)Oc1cccnc1
InChIInChI=1S/C14H19N5O/c1-3-11-8-18-14(15)19-13(11)17-7-10(2)20-12-5-4-6-16-9-12/h4-6,8-10H,3,7H2,1-2H3,(H3,15,17,18,19)/t10-/m0/s1
InChIKeyRDECDXKDSVGFHN-JTQLQIEISA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds6

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

5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine (PubChem CID 97147149) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine
PubChem CID97147149
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NC[C@H](C)Oc1cccnc1
InChIInChI=1S/C14H19N5O/c1-3-11-8-18-14(15)19-13(11)17-7-10(2)20-12-5-4-6-16-9-12/h4-6,8-10H,3,7H2,1-2H3,(H3,15,17,18,19)/t10-/m0/s1
InChIKeyRDECDXKDSVGFHN-JTQLQIEISA-N
XLogP1.90
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine (CID 97147149) is 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine is CCc1cnc(N)nc1NC[C@H](C)Oc1cccnc1.
What is the InChIKey of 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine?
The InChIKey is RDECDXKDSVGFHN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-11-8-18-14(15)19-13(11)17-7-10(2)20-12-5-4-6-16-9-12/h4-6,8-10H,3,7H2,1-2H3,(H3,15,17,18,19)/t10-/m0/s1.
What are the key properties of 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine?
5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(2S)-2-pyridin-3-yloxypropyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 97147149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).