2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine

C15H17F2N5O — CID 166062716

IUPAC2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine
SMILESNc1cnc(NCC2CC2)nc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2N5O/c16-14(17)23-11-5-3-10(4-6-11)21-13-12(18)8-20-15(22-13)19-7-9-1-2-9/h3-6,8-9,14H,1-2,7,18H2,(H2,19,20,21,22)
InChIKeyBVGQOHPUTLIKIB-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.23
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine

2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine (PubChem CID 166062716) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine
PubChem CID166062716
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC Name2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine
SMILESNc1cnc(NCC2CC2)nc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2N5O/c16-14(17)23-11-5-3-10(4-6-11)21-13-12(18)8-20-15(22-13)19-7-9-1-2-9/h3-6,8-9,14H,1-2,7,18H2,(H2,19,20,21,22)
InChIKeyBVGQOHPUTLIKIB-UHFFFAOYSA-N
XLogP3.23
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine (CID 166062716) is 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine is Nc1cnc(NCC2CC2)nc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine?
The InChIKey is BVGQOHPUTLIKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c16-14(17)23-11-5-3-10(4-6-11)21-13-12(18)8-20-15(22-13)19-7-9-1-2-9/h3-6,8-9,14H,1-2,7,18H2,(H2,19,20,21,22).
What are the key properties of 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine?
2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine has a molecular weight of 321.33 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 166062716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).