N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

C14H22N4O2 — CID 118972914

IUPACN-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCOC[C@@H](C)Nc1cc(N2CC3CCC(C2)O3)ncn1
InChIInChI=1S/C14H22N4O2/c1-10(8-19-2)17-13-5-14(16-9-15-13)18-6-11-3-4-12(7-18)20-11/h5,9-12H,3-4,6-8H2,1-2H3,(H,15,16,17)/t10-,11?,12?/m1/s1
InChIKeyWTMQSRGZHCCOJZ-VOMCLLRMSA-N
MW278.36 g/mol
LogP1.29
Rot. Bonds5

About N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (PubChem CID 118972914) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
PubChem CID118972914
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESCOC[C@@H](C)Nc1cc(N2CC3CCC(C2)O3)ncn1
InChIInChI=1S/C14H22N4O2/c1-10(8-19-2)17-13-5-14(16-9-15-13)18-6-11-3-4-12(7-18)20-11/h5,9-12H,3-4,6-8H2,1-2H3,(H,15,16,17)/t10-,11?,12?/m1/s1
InChIKeyWTMQSRGZHCCOJZ-VOMCLLRMSA-N
XLogP1.29
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (CID 118972914) is N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is COC[C@@H](C)Nc1cc(N2CC3CCC(C2)O3)ncn1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The InChIKey is WTMQSRGZHCCOJZ-VOMCLLRMSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(8-19-2)17-13-5-14(16-9-15-13)18-6-11-3-4-12(7-18)20-11/h5,9-12H,3-4,6-8H2,1-2H3,(H,15,16,17)/t10-,11?,12?/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 118972914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).