(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine

C12H14ClN5O — CID 144572815

IUPAC(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine
SMILESNCc1cnc2c(N3CCOCC3)nc(Cl)nc2c1
InChIInChI=1S/C12H14ClN5O/c13-12-16-9-5-8(6-14)7-15-10(9)11(17-12)18-1-3-19-4-2-18/h5,7H,1-4,6,14H2
InChIKeyRMJZXRCRTWAIFR-UHFFFAOYSA-N
MW279.73 g/mol
LogP0.97
Rot. Bonds2

About (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine

(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine (PubChem CID 144572815) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine
PubChem CID144572815
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine
SMILESNCc1cnc2c(N3CCOCC3)nc(Cl)nc2c1
InChIInChI=1S/C12H14ClN5O/c13-12-16-9-5-8(6-14)7-15-10(9)11(17-12)18-1-3-19-4-2-18/h5,7H,1-4,6,14H2
InChIKeyRMJZXRCRTWAIFR-UHFFFAOYSA-N
XLogP0.97
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 90038229
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
chloromethyl-[3-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)phenyl]carbamic acid
CID 86710197
2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
CID 118243094
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
4-[2-chloro-6-(piperidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 150507333
N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine
CID 88763602
4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100
2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 86618417
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine?
The IUPAC name of (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine (CID 144572815) is (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine?
The canonical SMILES for (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine is NCc1cnc2c(N3CCOCC3)nc(Cl)nc2c1.
What is the InChIKey of (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine?
The InChIKey is RMJZXRCRTWAIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-12-16-9-5-8(6-14)7-15-10(9)11(17-12)18-1-3-19-4-2-18/h5,7H,1-4,6,14H2.
What are the key properties of (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine?
(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine has a molecular weight of 279.73 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 144572815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).