2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine

C19H27N5O2 — CID 128965636

IUPAC2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NC(c2nc(C(C)C)no2)C2CCOCC2)nc(C2CC2)n1
InChIInChI=1S/C19H27N5O2/c1-11(2)17-23-19(26-24-17)16(13-6-8-25-9-7-13)21-15-10-12(3)20-18(22-15)14-4-5-14/h10-11,13-14,16H,4-9H2,1-3H3,(H,20,21,22)
InChIKeyUGKNXKXINQKYEC-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.75
Rot. Bonds6

About 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine

2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 128965636) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID128965636
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(NC(c2nc(C(C)C)no2)C2CCOCC2)nc(C2CC2)n1
InChIInChI=1S/C19H27N5O2/c1-11(2)17-23-19(26-24-17)16(13-6-8-25-9-7-13)21-15-10-12(3)20-18(22-15)14-4-5-14/h10-11,13-14,16H,4-9H2,1-3H3,(H,20,21,22)
InChIKeyUGKNXKXINQKYEC-UHFFFAOYSA-N
XLogP3.75
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129473602
5-bromo-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129472627
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 128993450
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 128967384
6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 129327296
5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 129471942
6,7-difluoro-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 129327295
3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 128965578
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 129331885
3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129326912
3,5-dimethyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 128973953

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (CID 128965636) is 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is Cc1cc(NC(c2nc(C(C)C)no2)C2CCOCC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is UGKNXKXINQKYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-11(2)17-23-19(26-24-17)16(13-6-8-25-9-7-13)21-15-10-12(3)20-18(22-15)14-4-5-14/h10-11,13-14,16H,4-9H2,1-3H3,(H,20,21,22).
What are the key properties of 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 128965636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).