N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine

C14H15N3O — CID 80860701

IUPACN-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
SMILESC/C=C/c1ccccc1Oc1ccnc(NC)n1
InChIInChI=1S/C14H15N3O/c1-3-6-11-7-4-5-8-12(11)18-13-9-10-16-14(15-2)17-13/h3-10H,1-2H3,(H,15,16,17)/b6-3+
InChIKeyXUCAAROLYDEJFP-ZZXKWVIFSA-N
MW241.29 g/mol
LogP3.34
Rot. Bonds4

About N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine

N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine (PubChem CID 80860701) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
PubChem CID80860701
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
SMILESC/C=C/c1ccccc1Oc1ccnc(NC)n1
InChIInChI=1S/C14H15N3O/c1-3-6-11-7-4-5-8-12(11)18-13-9-10-16-14(15-2)17-13/h3-10H,1-2H3,(H,15,16,17)/b6-3+
InChIKeyXUCAAROLYDEJFP-ZZXKWVIFSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
CID 76940175
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine
CID 80860093
2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80957766
2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
CID 55080893
N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 76938437
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915
6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80860267
[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
CID 80912130
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methanamine
CID 76938461

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine (CID 80860701) is N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine is C/C=C/c1ccccc1Oc1ccnc(NC)n1.
What is the InChIKey of N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine?
The InChIKey is XUCAAROLYDEJFP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-6-11-7-4-5-8-12(11)18-13-9-10-16-14(15-2)17-13/h3-10H,1-2H3,(H,15,16,17)/b6-3+.
What are the key properties of N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine?
N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 80860701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).