1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid

C17H26N4O3 — CID 122048455

IUPAC1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)C1OCCCC1Nc1ccnc(N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C17H26N4O3/c1-11(2)15-13(4-3-9-24-15)19-14-5-7-18-17(20-14)21-8-6-12(10-21)16(22)23/h5,7,11-13,15H,3-4,6,8-10H2,1-2H3,(H,22,23)(H,18,19,20)
InChIKeySWCREFCWCOPBQW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.00
Rot. Bonds5

About 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid

1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 122048455) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID122048455
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)C1OCCCC1Nc1ccnc(N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C17H26N4O3/c1-11(2)15-13(4-3-9-24-15)19-14-5-7-18-17(20-14)21-8-6-12(10-21)16(22)23/h5,7,11-13,15H,3-4,6,8-10H2,1-2H3,(H,22,23)(H,18,19,20)
InChIKeySWCREFCWCOPBQW-UHFFFAOYSA-N
XLogP2.00
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(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
1-[1-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 129340128
1-[4-(oxan-3-ylamino)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048445
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
N-[(2S,3R)-2-propan-2-yloxan-3-yl]-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine
CID 129339533
2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
CID 122047251
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
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
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-[(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid (CID 122048455) is 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid is CC(C)C1OCCCC1Nc1ccnc(N2CCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is SWCREFCWCOPBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(2)15-13(4-3-9-24-15)19-14-5-7-18-17(20-14)21-8-6-12(10-21)16(22)23/h5,7,11-13,15H,3-4,6,8-10H2,1-2H3,(H,22,23)(H,18,19,20).
What are the key properties of 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122048455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).