2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine

C13H19ClN6 — CID 144717395

IUPAC2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine
SMILESCCCNc1nc(Cl)nc2c(NCCC)nc(C)nc12
InChIInChI=1S/C13H19ClN6/c1-4-6-15-11-10-9(17-8(3)18-11)12(16-7-5-2)20-13(14)19-10/h4-7H2,1-3H3,(H,15,17,18)(H,16,19,20)
InChIKeyFSASCXRLUIPTOV-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.03
Rot. Bonds6

About 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine

2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine (PubChem CID 144717395) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine
PubChem CID144717395
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine
SMILESCCCNc1nc(Cl)nc2c(NCCC)nc(C)nc12
InChIInChI=1S/C13H19ClN6/c1-4-6-15-11-10-9(17-8(3)18-11)12(16-7-5-2)20-13(14)19-10/h4-7H2,1-3H3,(H,15,17,18)(H,16,19,20)
InChIKeyFSASCXRLUIPTOV-UHFFFAOYSA-N
XLogP3.03
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2,6-dichloro-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]methylamino]ethanol
CID 151785816
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
2-methyl-N-propylpyrido[3,2-d]pyrimidin-4-amine
CID 140944597
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine (CID 144717395) is 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine is CCCNc1nc(Cl)nc2c(NCCC)nc(C)nc12.
What is the InChIKey of 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The InChIKey is FSASCXRLUIPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c1-4-6-15-11-10-9(17-8(3)18-11)12(16-7-5-2)20-13(14)19-10/h4-7H2,1-3H3,(H,15,17,18)(H,16,19,20).
What are the key properties of 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine?
2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine has a molecular weight of 294.79 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine is sourced from PubChem (CID 144717395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).