N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine

C20H23ClN6O — CID 19962013

IUPACN-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine
SMILESCC(C)N(Cc1ccccc1)c1ncnc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C20H23ClN6O/c1-14(2)27(12-15-6-4-3-5-7-15)18-17-16(22-13-23-18)19(25-20(21)24-17)26-8-10-28-11-9-26/h3-7,13-14H,8-12H2,1-2H3
InChIKeyUIGJQLXXEQVOBS-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.32
Rot. Bonds5

About N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine

N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine (PubChem CID 19962013) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine.

Molecular Properties

Compound NameN-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine
PubChem CID19962013
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC NameN-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine
SMILESCC(C)N(Cc1ccccc1)c1ncnc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C20H23ClN6O/c1-14(2)27(12-15-6-4-3-5-7-15)18-17-16(22-13-23-18)19(25-20(21)24-17)26-8-10-28-11-9-26/h3-7,13-14H,8-12H2,1-2H3
InChIKeyUIGJQLXXEQVOBS-UHFFFAOYSA-N
XLogP3.32
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.32
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-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine?
The IUPAC name of N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine (CID 19962013) is N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine.
What is the SMILES notation for N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine?
The canonical SMILES for N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine is CC(C)N(Cc1ccccc1)c1ncnc2c(N3CCOCC3)nc(Cl)nc12.
What is the InChIKey of N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine?
The InChIKey is UIGJQLXXEQVOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-14(2)27(12-15-6-4-3-5-7-15)18-17-16(22-13-23-18)19(25-20(21)24-17)26-8-10-28-11-9-26/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine?
N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine has a molecular weight of 398.90 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-4-morpholin-4-yl-N-propan-2-ylpyrimido[5,4-d]pyrimidin-8-amine is sourced from PubChem (CID 19962013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).