N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C13H22N4 — CID 105495360

IUPACN,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCc1nc2c(c(N(CC)CC)n1)CCNC2
InChIInChI=1S/C13H22N4/c1-4-12-15-11-9-14-8-7-10(11)13(16-12)17(5-2)6-3/h14H,4-9H2,1-3H3
InChIKeyUBXIOLJUNHFIDC-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.53
Rot. Bonds4

About N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 105495360) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID105495360
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCc1nc2c(c(N(CC)CC)n1)CCNC2
InChIInChI=1S/C13H22N4/c1-4-12-15-11-9-14-8-7-10(11)13(16-12)17(5-2)6-3/h14H,4-9H2,1-3H3
InChIKeyUBXIOLJUNHFIDC-UHFFFAOYSA-N
XLogP1.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 105495360) is N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CCc1nc2c(c(N(CC)CC)n1)CCNC2.
What is the InChIKey of N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is UBXIOLJUNHFIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-12-15-11-9-14-8-7-10(11)13(16-12)17(5-2)6-3/h14H,4-9H2,1-3H3.
What are the key properties of N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-triethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 105495360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).