2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid

C14H22N4O3 — CID 122047251

IUPAC2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
SMILESCC(C)C1OCCCC1Nc1ccnc(NCC(=O)O)n1
InChIInChI=1S/C14H22N4O3/c1-9(2)13-10(4-3-7-21-13)17-11-5-6-15-14(18-11)16-8-12(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyGWYXPQYSXLMWOL-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.59
Rot. Bonds6

About 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid

2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid (PubChem CID 122047251) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
PubChem CID122047251
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
SMILESCC(C)C1OCCCC1Nc1ccnc(NCC(=O)O)n1
InChIInChI=1S/C14H22N4O3/c1-9(2)13-10(4-3-7-21-13)17-11-5-6-15-14(18-11)16-8-12(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeyGWYXPQYSXLMWOL-UHFFFAOYSA-N
XLogP1.59
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine
CID 154794243
2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129333496
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048455
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide
CID 129337954
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129341346
(3R)-N-ethyl-1-[4-[[(2R,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]pyrrolidine-3-sulfonamide
CID 129336698
(2R)-4-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]morpholine-2-carbonitrile
CID 129342483
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129343408
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474157
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474155
2-methyl-6-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 129342942

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid (CID 122047251) is 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid is CC(C)C1OCCCC1Nc1ccnc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is GWYXPQYSXLMWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)13-10(4-3-7-21-13)17-11-5-6-15-14(18-11)16-8-12(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid?
2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 294.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 122047251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).