N-(oxan-4-yl)pyrimidin-2-amine;propane

C12H21N3O — CID 144986361

IUPACN-(oxan-4-yl)pyrimidin-2-amine;propane
SMILESCCC.c1cnc(NC2CCOCC2)nc1
InChIInChI=1S/C9H13N3O.C3H8/c1-4-10-9(11-5-1)12-8-2-6-13-7-3-8;1-3-2/h1,4-5,8H,2-3,6-7H2,(H,10,11,12);3H2,1-2H3
InChIKeyJHQOHVFOGBXTPA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.48
Rot. Bonds2

About N-(oxan-4-yl)pyrimidin-2-amine;propane

N-(oxan-4-yl)pyrimidin-2-amine;propane (PubChem CID 144986361) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(oxan-4-yl)pyrimidin-2-amine;propane.

Molecular Properties

Compound NameN-(oxan-4-yl)pyrimidin-2-amine;propane
PubChem CID144986361
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(oxan-4-yl)pyrimidin-2-amine;propane
SMILESCCC.c1cnc(NC2CCOCC2)nc1
InChIInChI=1S/C9H13N3O.C3H8/c1-4-10-9(11-5-1)12-8-2-6-13-7-3-8;1-3-2/h1,4-5,8H,2-3,6-7H2,(H,10,11,12);3H2,1-2H3
InChIKeyJHQOHVFOGBXTPA-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
N-cyclobutylpyrimidin-2-amine
CID 45080152
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
4-N-tert-butyl-1-N-pyrimidin-2-ylcyclohexane-1,4-diamine
CID 155223125
2-N-(oxan-4-yl)pyridine-2,3-diamine
CID 43609746
1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
CID 176934296
2-methyl-N-(oxepan-4-yl)pyridin-3-amine
CID 79042531
4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 71643877
N-(1-iodopiperidin-4-yl)pyrimidin-2-amine
CID 164956065
2-(oxan-4-ylamino)pyrimidine-4-carbothioamide
CID 107546679
N-(oxan-4-yl)quinazolin-2-amine
CID 114788886
(4R)-9-ethylsulfonyl-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98894497

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)pyrimidin-2-amine;propane?
The IUPAC name of N-(oxan-4-yl)pyrimidin-2-amine;propane (CID 144986361) is N-(oxan-4-yl)pyrimidin-2-amine;propane.
What is the SMILES notation for N-(oxan-4-yl)pyrimidin-2-amine;propane?
The canonical SMILES for N-(oxan-4-yl)pyrimidin-2-amine;propane is CCC.c1cnc(NC2CCOCC2)nc1.
What is the InChIKey of N-(oxan-4-yl)pyrimidin-2-amine;propane?
The InChIKey is JHQOHVFOGBXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C3H8/c1-4-10-9(11-5-1)12-8-2-6-13-7-3-8;1-3-2/h1,4-5,8H,2-3,6-7H2,(H,10,11,12);3H2,1-2H3.
What are the key properties of N-(oxan-4-yl)pyrimidin-2-amine;propane?
N-(oxan-4-yl)pyrimidin-2-amine;propane has a molecular weight of 223.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)pyrimidin-2-amine;propane is sourced from PubChem (CID 144986361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).