N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine

C18H19ClN6O — CID 88763602

IUPACN-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine
SMILESCN(Cc1ccccc1)c1ncc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C18H19ClN6O/c1-24(12-13-5-3-2-4-6-13)18-20-11-14-15(22-18)16(23-17(19)21-14)25-7-9-26-10-8-25/h2-6,11H,7-10,12H2,1H3
InChIKeyYYRLNSZZNBPCFI-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.55
Rot. Bonds4

About N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine

N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine (PubChem CID 88763602) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine
PubChem CID88763602
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine
SMILESCN(Cc1ccccc1)c1ncc2nc(Cl)nc(N3CCOCC3)c2n1
InChIInChI=1S/C18H19ClN6O/c1-24(12-13-5-3-2-4-6-13)18-20-11-14-15(22-18)16(23-17(19)21-14)25-7-9-26-10-8-25/h2-6,11H,7-10,12H2,1H3
InChIKeyYYRLNSZZNBPCFI-UHFFFAOYSA-N
XLogP2.55
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine (CID 88763602) is N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine is CN(Cc1ccccc1)c1ncc2nc(Cl)nc(N3CCOCC3)c2n1.
What is the InChIKey of N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine?
The InChIKey is YYRLNSZZNBPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-24(12-13-5-3-2-4-6-13)18-20-11-14-15(22-18)16(23-17(19)21-14)25-7-9-26-10-8-25/h2-6,11H,7-10,12H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine?
N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine has a molecular weight of 370.84 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 88763602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).