1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol

C13H17F3N4O — CID 75496473

IUPAC1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCN(c2cc(NCC3CC3)ncn2)C1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)12(21)3-4-20(7-12)11-5-10(18-8-19-11)17-6-9-1-2-9/h5,8-9,21H,1-4,6-7H2,(H,17,18,19)
InChIKeyBBGBIKJYGULUAQ-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.80
Rot. Bonds4

About 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol

1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 75496473) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID75496473
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCN(c2cc(NCC3CC3)ncn2)C1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)12(21)3-4-20(7-12)11-5-10(18-8-19-11)17-6-9-1-2-9/h5,8-9,21H,1-4,6-7H2,(H,17,18,19)
InChIKeyBBGBIKJYGULUAQ-UHFFFAOYSA-N
XLogP1.80
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 75496473) is 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol is OC1(C(F)(F)F)CCN(c2cc(NCC3CC3)ncn2)C1.
What is the InChIKey of 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is BBGBIKJYGULUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)12(21)3-4-20(7-12)11-5-10(18-8-19-11)17-6-9-1-2-9/h5,8-9,21H,1-4,6-7H2,(H,17,18,19).
What are the key properties of 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 302.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 75496473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).