N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C11H16N4 — CID 117101707

IUPACN-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1nc2c(c(NCC3CC3)n1)CCNC2
InChIInChI=1S/C11H16N4/c1-2-8(1)5-13-11-9-3-4-12-6-10(9)14-7-15-11/h7-8,12H,1-6H2,(H,13,14,15)
InChIKeyQCKVFMHUUBMAOW-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.94
Rot. Bonds3

About N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 117101707) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID117101707
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1nc2c(c(NCC3CC3)n1)CCNC2
InChIInChI=1S/C11H16N4/c1-2-8(1)5-13-11-9-3-4-12-6-10(9)14-7-15-11/h7-8,12H,1-6H2,(H,13,14,15)
InChIKeyQCKVFMHUUBMAOW-UHFFFAOYSA-N
XLogP0.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 117101707) is N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is c1nc2c(c(NCC3CC3)n1)CCNC2.
What is the InChIKey of N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is QCKVFMHUUBMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-8(1)5-13-11-9-3-4-12-6-10(9)14-7-15-11/h7-8,12H,1-6H2,(H,13,14,15).
What are the key properties of N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 204.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 117101707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).