3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine

C14H21N3 — CID 10681048

IUPAC3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine
SMILESc1cnc2c(c1)CN(CC1CCCCC1)CN2
InChIInChI=1S/C14H21N3/c1-2-5-12(6-3-1)9-17-10-13-7-4-8-15-14(13)16-11-17/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,16)
InChIKeyHIYYXPOCPFZQPQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.85
Rot. Bonds2

About 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine

3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine (PubChem CID 10681048) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine
PubChem CID10681048
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine
SMILESc1cnc2c(c1)CN(CC1CCCCC1)CN2
InChIInChI=1S/C14H21N3/c1-2-5-12(6-3-1)9-17-10-13-7-4-8-15-14(13)16-11-17/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,16)
InChIKeyHIYYXPOCPFZQPQ-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine (CID 10681048) is 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine is c1cnc2c(c1)CN(CC1CCCCC1)CN2.
What is the InChIKey of 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine?
The InChIKey is HIYYXPOCPFZQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-5-12(6-3-1)9-17-10-13-7-4-8-15-14(13)16-11-17/h4,7-8,12H,1-3,5-6,9-11H2,(H,15,16).
What are the key properties of 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine?
3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine has a molecular weight of 231.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2,4-dihydro-1H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 10681048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).