N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine

C14H17N3O — CID 82535721

IUPACN-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine
SMILESCC(C)(C)Oc1ccc(Nc2cncnc2)cc1
InChIInChI=1S/C14H17N3O/c1-14(2,3)18-13-6-4-11(5-7-13)17-12-8-15-10-16-9-12/h4-10,17H,1-3H3
InChIKeyJSOQHMBGNIEDHZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.40
Rot. Bonds3

About N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine

N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine (PubChem CID 82535721) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine
PubChem CID82535721
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine
SMILESCC(C)(C)Oc1ccc(Nc2cncnc2)cc1
InChIInChI=1S/C14H17N3O/c1-14(2,3)18-13-6-4-11(5-7-13)17-12-8-15-10-16-9-12/h4-10,17H,1-3H3
InChIKeyJSOQHMBGNIEDHZ-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-4-amine
CID 82535722
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]aniline
CID 82535713
N-(4-bromophenyl)pyrimidin-5-amine
CID 115046650
trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane
CID 71403071
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N'-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 96671315
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 98784045
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine?
The IUPAC name of N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine (CID 82535721) is N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine.
What is the SMILES notation for N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine?
The canonical SMILES for N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine is CC(C)(C)Oc1ccc(Nc2cncnc2)cc1.
What is the InChIKey of N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine?
The InChIKey is JSOQHMBGNIEDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)18-13-6-4-11(5-7-13)17-12-8-15-10-16-9-12/h4-10,17H,1-3H3.
What are the key properties of N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine?
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine has a molecular weight of 243.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrimidin-5-amine is sourced from PubChem (CID 82535721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).