4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide

C12H18N4O2 — CID 133314301

IUPAC4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide
SMILESCc1cc(NCC2(C(N)=O)CCOCC2)ncn1
InChIInChI=1S/C12H18N4O2/c1-9-6-10(16-8-15-9)14-7-12(11(13)17)2-4-18-5-3-12/h6,8H,2-5,7H2,1H3,(H2,13,17)(H,14,15,16)
InChIKeyNEBIWASNRNXYMS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.48
Rot. Bonds4

About 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide

4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide (PubChem CID 133314301) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide
PubChem CID133314301
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide
SMILESCc1cc(NCC2(C(N)=O)CCOCC2)ncn1
InChIInChI=1S/C12H18N4O2/c1-9-6-10(16-8-15-9)14-7-12(11(13)17)2-4-18-5-3-12/h6,8H,2-5,7H2,1H3,(H2,13,17)(H,14,15,16)
InChIKeyNEBIWASNRNXYMS-UHFFFAOYSA-N
XLogP0.48
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[6-chloro-5-(methylamino)pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide
CID 133464560
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxamide
CID 133430656
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
6-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63830485
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]oxane-4-carboxamide
CID 133314297
6-[(4-carbamoyloxan-4-yl)methylamino]-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 133430584
4-[[(6-bromo-2,3-dimethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430557
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430686
5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380624
4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430578

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide (CID 133314301) is 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide is Cc1cc(NCC2(C(N)=O)CCOCC2)ncn1.
What is the InChIKey of 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide?
The InChIKey is NEBIWASNRNXYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-6-10(16-8-15-9)14-7-12(11(13)17)2-4-18-5-3-12/h6,8H,2-5,7H2,1H3,(H2,13,17)(H,14,15,16).
What are the key properties of 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide?
4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 133314301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).