N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine

C18H20F2N4O2 — CID 154755411

IUPACN-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFC(F)Oc1ccc([C@@H]2C[C@H]2Nc2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H20F2N4O2/c19-17(20)26-13-3-1-12(2-4-13)14-11-15(14)22-16-5-6-21-18(23-16)24-7-9-25-10-8-24/h1-6,14-15,17H,7-11H2,(H,21,22,23)/t14-,15+/m0/s1
InChIKeyGNNJZYRCWKXYPD-LSDHHAIUSA-N
MW362.38 g/mol
LogP2.88
Rot. Bonds6

About N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine

N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 154755411) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID154755411
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC NameN-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFC(F)Oc1ccc([C@@H]2C[C@H]2Nc2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H20F2N4O2/c19-17(20)26-13-3-1-12(2-4-13)14-11-15(14)22-16-5-6-21-18(23-16)24-7-9-25-10-8-24/h1-6,14-15,17H,7-11H2,(H,21,22,23)/t14-,15+/m0/s1
InChIKeyGNNJZYRCWKXYPD-LSDHHAIUSA-N
XLogP2.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 117079763
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
N-[2-(4-methoxyphenoxy)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886594
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 171576676
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
N'-(2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 121204896
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-fluoropiperidin-1-yl)pyrimidin-4-amine;ethane
CID 169200961
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
2-morpholin-4-yl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112886621
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 154755411) is N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine is FC(F)Oc1ccc([C@@H]2C[C@H]2Nc2ccnc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is GNNJZYRCWKXYPD-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c19-17(20)26-13-3-1-12(2-4-13)14-11-15(14)22-16-5-6-21-18(23-16)24-7-9-25-10-8-24/h1-6,14-15,17H,7-11H2,(H,21,22,23)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 362.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 154755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).