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

C10H15ClN4 — CID 117100800

IUPAC4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCC(C)Nc1nc(Cl)c2c(n1)CNCC2
InChIInChI=1S/C10H15ClN4/c1-6(2)13-10-14-8-5-12-4-3-7(8)9(11)15-10/h6,12H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyADTCOKGOBAAYJL-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.60
Rot. Bonds2

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

4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 117100800) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID117100800
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCC(C)Nc1nc(Cl)c2c(n1)CNCC2
InChIInChI=1S/C10H15ClN4/c1-6(2)13-10-14-8-5-12-4-3-7(8)9(11)15-10/h6,12H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyADTCOKGOBAAYJL-UHFFFAOYSA-N
XLogP1.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100947
2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117100826
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
4-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742482
N-phenyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 114742834
2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742866
N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 20753396
4-chloro-N-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 117101313
4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101094
4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 20510226
4-chloro-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101118
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105476716

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 117100800) is 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is CC(C)Nc1nc(Cl)c2c(n1)CNCC2.
What is the InChIKey of 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is ADTCOKGOBAAYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-6(2)13-10-14-8-5-12-4-3-7(8)9(11)15-10/h6,12H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 117100800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).