2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid

C15H24N4O3 — CID 122563170

IUPAC2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid
SMILESCN(Cc1cnc(NCC(=O)O)nc1)C1CCOC(C)(C)C1
InChIInChI=1S/C15H24N4O3/c1-15(2)6-12(4-5-22-15)19(3)10-11-7-16-14(17-8-11)18-9-13(20)21/h7-8,12H,4-6,9-10H2,1-3H3,(H,20,21)(H,16,17,18)
InChIKeyYOPDYQKTWPLLOQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.36
Rot. Bonds6

About 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid

2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid (PubChem CID 122563170) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid
PubChem CID122563170
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid
SMILESCN(Cc1cnc(NCC(=O)O)nc1)C1CCOC(C)(C)C1
InChIInChI=1S/C15H24N4O3/c1-15(2)6-12(4-5-22-15)19(3)10-11-7-16-14(17-8-11)18-9-13(20)21/h7-8,12H,4-6,9-10H2,1-3H3,(H,20,21)(H,16,17,18)
InChIKeyYOPDYQKTWPLLOQ-UHFFFAOYSA-N
XLogP1.36
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid with MolForge

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Related Compounds

2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
2-anilino-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 97149283
(4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine
CID 99958857
2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid
CID 65054656
5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylpyrimidin-2-amine
CID 77085463
N-benzyl-2,2-dimethyl-N-(2-phenylethyl)oxan-4-amine chloride
CID 53351142
2-[[5-[[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)amino]methyl]pyrimidin-2-yl]amino]acetic acid
CID 122557550
2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605853
N-[(4R)-2,2-dimethyloxan-4-yl]-N-[(3S)-3-methyl-4-phenyl-3-thiophen-2-ylbutyl]acetamide
CID 39340865
N-[2-(1-benzylcyclopentyl)ethyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 42654291
N-[(3R)-3-cyclopropyl-3-phenylbutyl]-N-[(4R)-2,2-dimethyloxan-4-yl]acetamide
CID 39309555
5-[[2,3-dihydro-1H-inden-2-yl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99943881

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid (CID 122563170) is 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid is CN(Cc1cnc(NCC(=O)O)nc1)C1CCOC(C)(C)C1.
What is the InChIKey of 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is YOPDYQKTWPLLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2)6-12(4-5-22-15)19(3)10-11-7-16-14(17-8-11)18-9-13(20)21/h7-8,12H,4-6,9-10H2,1-3H3,(H,20,21)(H,16,17,18).
What are the key properties of 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid?
2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 308.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[(2,2-dimethyloxan-4-yl)-methylamino]methyl]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 122563170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).