6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine

C14H22N4O2 — CID 50979577

IUPAC6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine
SMILESCOc1cc(N[C@H]2COC[C@@H]2N2CCCCC2)ncn1
InChIInChI=1S/C14H22N4O2/c1-19-14-7-13(15-10-16-14)17-11-8-20-9-12(11)18-5-3-2-4-6-18/h7,10-12H,2-6,8-9H2,1H3,(H,15,16,17)/t11-,12-/m0/s1
InChIKeyBCUTWGXDFJWHFA-RYUDHWBXSA-N
MW278.36 g/mol
LogP1.15
Rot. Bonds4

About 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine

6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine (PubChem CID 50979577) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine
PubChem CID50979577
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine
SMILESCOc1cc(N[C@H]2COC[C@@H]2N2CCCCC2)ncn1
InChIInChI=1S/C14H22N4O2/c1-19-14-7-13(15-10-16-14)17-11-8-20-9-12(11)18-5-3-2-4-6-18/h7,10-12H,2-6,8-9H2,1H3,(H,15,16,17)/t11-,12-/m0/s1
InChIKeyBCUTWGXDFJWHFA-RYUDHWBXSA-N
XLogP1.15
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine (CID 50979577) is 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine is COc1cc(N[C@H]2COC[C@@H]2N2CCCCC2)ncn1.
What is the InChIKey of 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine?
The InChIKey is BCUTWGXDFJWHFA-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-19-14-7-13(15-10-16-14)17-11-8-20-9-12(11)18-5-3-2-4-6-18/h7,10-12H,2-6,8-9H2,1H3,(H,15,16,17)/t11-,12-/m0/s1.
What are the key properties of 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine?
6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 50979577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).