3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine

C14H20ClN5 — CID 137350738

IUPAC3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCN(C)CCC(C)(C)Nc1nc(Cl)nc2cnccc12
InChIInChI=1S/C14H20ClN5/c1-14(2,6-8-20(3)4)19-12-10-5-7-16-9-11(10)17-13(15)18-12/h5,7,9H,6,8H2,1-4H3,(H,17,18,19)
InChIKeyLZECSKWMIFDFPM-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.82
Rot. Bonds5

About 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine

3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine (PubChem CID 137350738) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
PubChem CID137350738
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCN(C)CCC(C)(C)Nc1nc(Cl)nc2cnccc12
InChIInChI=1S/C14H20ClN5/c1-14(2,6-8-20(3)4)19-12-10-5-7-16-9-11(10)17-13(15)18-12/h5,7,9H,6,8H2,1-4H3,(H,17,18,19)
InChIKeyLZECSKWMIFDFPM-UHFFFAOYSA-N
XLogP2.82
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine with MolForge

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Related Compounds

(5R)-5-[(2-chloropyrido[3,4-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
CID 159037755
2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 135368371
N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368753
2-chloro-N-(1-methylimidazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 58398933
4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile
CID 135368468
2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol
CID 135368578
N-tert-butyl-2-[3-(trifluoromethyl)-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 135390680
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 135368085
2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid
CID 135368674
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
N-[2-(1-benzofuran-2-yl)pyrido[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 69071862
N,2-dimethylpyrido[3,4-d]pyrimidin-4-amine
CID 88990244

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine (CID 137350738) is 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine is CN(C)CCC(C)(C)Nc1nc(Cl)nc2cnccc12.
What is the InChIKey of 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The InChIKey is LZECSKWMIFDFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-14(2,6-8-20(3)4)19-12-10-5-7-16-9-11(10)17-13(15)18-12/h5,7,9H,6,8H2,1-4H3,(H,17,18,19).
What are the key properties of 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine has a molecular weight of 293.80 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 137350738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).