N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine

C19H22FN3O — CID 145467487

IUPACN-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine
SMILESCOC(c1ccc(-c2cnc(NC3CC3)nc2)cc1)C1(CF)CC1
InChIInChI=1S/C19H22FN3O/c1-24-17(19(12-20)8-9-19)14-4-2-13(3-5-14)15-10-21-18(22-11-15)23-16-6-7-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H,21,22,23)
InChIKeyOVIVSXUWVXKTTF-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.16
Rot. Bonds7

About N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine

N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine (PubChem CID 145467487) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine
PubChem CID145467487
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine
SMILESCOC(c1ccc(-c2cnc(NC3CC3)nc2)cc1)C1(CF)CC1
InChIInChI=1S/C19H22FN3O/c1-24-17(19(12-20)8-9-19)14-4-2-13(3-5-14)15-10-21-18(22-11-15)23-16-6-7-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H,21,22,23)
InChIKeyOVIVSXUWVXKTTF-UHFFFAOYSA-N
XLogP4.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine (CID 145467487) is N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine is COC(c1ccc(-c2cnc(NC3CC3)nc2)cc1)C1(CF)CC1.
What is the InChIKey of N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine?
The InChIKey is OVIVSXUWVXKTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-24-17(19(12-20)8-9-19)14-4-2-13(3-5-14)15-10-21-18(22-11-15)23-16-6-7-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H,21,22,23).
What are the key properties of N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine?
N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine has a molecular weight of 327.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-[[1-(fluoromethyl)cyclopropyl]-methoxymethyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 145467487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).