5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide

C11H16N4O2 — CID 133380624

IUPAC5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
SMILESCc1cc(NCC2CCC(C(N)=O)O2)ncn1
InChIInChI=1S/C11H16N4O2/c1-7-4-10(15-6-14-7)13-5-8-2-3-9(17-8)11(12)16/h4,6,8-9H,2-3,5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyOSPDDYYMPUSKJP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.23
Rot. Bonds4

About 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide

5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide (PubChem CID 133380624) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
PubChem CID133380624
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
SMILESCc1cc(NCC2CCC(C(N)=O)O2)ncn1
InChIInChI=1S/C11H16N4O2/c1-7-4-10(15-6-14-7)13-5-8-2-3-9(17-8)11(12)16/h4,6,8-9H,2-3,5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyOSPDDYYMPUSKJP-UHFFFAOYSA-N
XLogP0.23
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380627
5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
CID 133380633
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
N-[(3-aminocyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 106126678
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
(2R,5R)-5-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 97225540
5-[(5-methyl-2-nitroanilino)methyl]oxolane-2-carboxamide
CID 133380696
5-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxolane-2-carboxylic acid
CID 137015890
4-[[(6-methylpyrimidin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133314301
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
CID 167938136
(2R,5S)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835306

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide (CID 133380624) is 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide is Cc1cc(NCC2CCC(C(N)=O)O2)ncn1.
What is the InChIKey of 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide?
The InChIKey is OSPDDYYMPUSKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-4-10(15-6-14-7)13-5-8-2-3-9(17-8)11(12)16/h4,6,8-9H,2-3,5H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide?
5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 133380624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).