4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine

C15H24N4O — CID 72935950

IUPAC4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine
SMILESCC(C)c1ccnc(N[C@H]2COC[C@@H]2N2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-11(2)12-5-6-16-15(17-12)18-13-9-20-10-14(13)19-7-3-4-8-19/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,16,17,18)/t13-,14-/m0/s1
InChIKeyHNGJPJZMXYKCOO-KBPBESRZSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds4

About 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine

4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine (PubChem CID 72935950) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine
PubChem CID72935950
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine
SMILESCC(C)c1ccnc(N[C@H]2COC[C@@H]2N2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-11(2)12-5-6-16-15(17-12)18-13-9-20-10-14(13)19-7-3-4-8-19/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,16,17,18)/t13-,14-/m0/s1
InChIKeyHNGJPJZMXYKCOO-KBPBESRZSA-N
XLogP1.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine (CID 72935950) is 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine is CC(C)c1ccnc(N[C@H]2COC[C@@H]2N2CCCC2)n1.
What is the InChIKey of 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine?
The InChIKey is HNGJPJZMXYKCOO-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)12-5-6-16-15(17-12)18-13-9-20-10-14(13)19-7-3-4-8-19/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,16,17,18)/t13-,14-/m0/s1.
What are the key properties of 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine?
4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 72935950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).