2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine

C14H20ClN5O2 — CID 145480232

IUPAC2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine
SMILES[H]/N=C/c1c(NC2CCCCO2)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C14H20ClN5O2/c15-14-18-12(17-11-3-1-2-6-22-11)10(9-16)13(19-14)20-4-7-21-8-5-20/h9,11,16H,1-8H2,(H,17,18,19)/b16-9+
InChIKeyQYKHXVRKWQWFMV-CXUHLZMHSA-N
MW325.80 g/mol
LogP1.90
Rot. Bonds4

About 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine

2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine (PubChem CID 145480232) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine
PubChem CID145480232
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine
SMILES[H]/N=C/c1c(NC2CCCCO2)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C14H20ClN5O2/c15-14-18-12(17-11-3-1-2-6-22-11)10(9-16)13(19-14)20-4-7-21-8-5-20/h9,11,16H,1-8H2,(H,17,18,19)/b16-9+
InChIKeyQYKHXVRKWQWFMV-CXUHLZMHSA-N
XLogP1.90
TPSA83.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine
CID 143794618
5-methanimidoyl-6-morpholin-4-yl-2-phenyl-N-piperidin-4-ylpyrimidin-4-amine
CID 145480219
6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine
CID 142525089
2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol
CID 139376447
N-(3-bromo-2-methanimidoyl-4-methylphenyl)oxan-2-amine
CID 177026949
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869428
4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine
CID 141233569
N-(2-methanimidoyl-3-methyl-4-nitrophenyl)oxan-2-amine
CID 139365930
4-[2-chloro-9-(oxan-2-yl)-8-[(3-piperazin-1-ylazetidin-1-yl)methyl]purin-6-yl]morpholine
CID 150914174
4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100
N-[2-methanimidoyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-2-amine
CID 155647290
[2-chloro-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-6-(oxan-2-ylamino)pyrimidin-5-yl]methylideneazanium
CID 142537974

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine (CID 145480232) is 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine is [H]/N=C/c1c(NC2CCCCO2)nc(Cl)nc1N1CCOCC1.
What is the InChIKey of 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine?
The InChIKey is QYKHXVRKWQWFMV-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H20ClN5O2/c15-14-18-12(17-11-3-1-2-6-22-11)10(9-16)13(19-14)20-4-7-21-8-5-20/h9,11,16H,1-8H2,(H,17,18,19)/b16-9+.
What are the key properties of 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine?
2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine has a molecular weight of 325.80 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 145480232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).