2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine

C18H25ClN6O — CID 54312779

IUPAC2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
SMILESCN(CC1CCCCC1)c1ncnc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C18H25ClN6O/c1-24(11-13-5-3-2-4-6-13)16-15-14(20-12-21-16)17(23-18(19)22-15)25-7-9-26-10-8-25/h12-13H,2-11H2,1H3
InChIKeySMBOFEIJKBINQD-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.93
Rot. Bonds4

About 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine

2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine (PubChem CID 54312779) has the molecular formula C18H25ClN6O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
PubChem CID54312779
Molecular FormulaC18H25ClN6O
Molecular Weight376.89 g/mol
Exact Mass376.18
IUPAC Name2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
SMILESCN(CC1CCCCC1)c1ncnc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C18H25ClN6O/c1-24(11-13-5-3-2-4-6-13)16-15-14(20-12-21-16)17(23-18(19)22-15)25-7-9-26-10-8-25/h12-13H,2-11H2,1H3
InChIKeySMBOFEIJKBINQD-UHFFFAOYSA-N
XLogP2.93
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine (CID 54312779) is 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine is CN(CC1CCCCC1)c1ncnc2c(N3CCOCC3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?
The InChIKey is SMBOFEIJKBINQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O/c1-24(11-13-5-3-2-4-6-13)16-15-14(20-12-21-16)17(23-18(19)22-15)25-7-9-26-10-8-25/h12-13H,2-11H2,1H3.
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine?
2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine has a molecular weight of 376.89 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine is sourced from PubChem (CID 54312779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).