2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine

C16H21N5O — CID 167750976

IUPAC2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCCn1cc([C@H]2OCC[C@@H]2Nc2ccnc(C3CC3)n2)cn1
InChIInChI=1S/C16H21N5O/c1-2-21-10-12(9-18-21)15-13(6-8-22-15)19-14-5-7-17-16(20-14)11-3-4-11/h5,7,9-11,13,15H,2-4,6,8H2,1H3,(H,17,19,20)/t13-,15+/m0/s1
InChIKeyLXYGJIMLDDNYKN-DZGCQCFKSA-N
MW299.38 g/mol
LogP2.51
Rot. Bonds5

About 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine (PubChem CID 167750976) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine
PubChem CID167750976
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCCn1cc([C@H]2OCC[C@@H]2Nc2ccnc(C3CC3)n2)cn1
InChIInChI=1S/C16H21N5O/c1-2-21-10-12(9-18-21)15-13(6-8-22-15)19-14-5-7-17-16(20-14)11-3-4-11/h5,7,9-11,13,15H,2-4,6,8H2,1H3,(H,17,19,20)/t13-,15+/m0/s1
InChIKeyLXYGJIMLDDNYKN-DZGCQCFKSA-N
XLogP2.51
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
CID 129003579
6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile
CID 154761391
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 97060246
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-2-propan-2-ylpyrimidin-4-amine
CID 128977716
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-fluoro-3-methylbenzamide
CID 129006150
(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine (CID 167750976) is 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine is CCn1cc([C@H]2OCC[C@@H]2Nc2ccnc(C3CC3)n2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is LXYGJIMLDDNYKN-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-21-10-12(9-18-21)15-13(6-8-22-15)19-14-5-7-17-16(20-14)11-3-4-11/h5,7,9-11,13,15H,2-4,6,8H2,1H3,(H,17,19,20)/t13-,15+/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 167750976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).