4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine

C14H16F2N4 — CID 115915739

IUPAC4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16F2N4/c1-2-17-12-8-13(18-9-11(15)16)20-14(19-12)10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H2,17,18,19,20)
InChIKeySBUVKMRVKDCPNQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.25
Rot. Bonds6

About 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine

4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915739) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID115915739
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCC(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16F2N4/c1-2-17-12-8-13(18-9-11(15)16)20-14(19-12)10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H2,17,18,19,20)
InChIKeySBUVKMRVKDCPNQ-UHFFFAOYSA-N
XLogP3.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212
N-ethyl-2-phenyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 115915110
6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine
CID 115915961
4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879814
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 115916082
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine (CID 115915739) is 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine is CCNc1cc(NCC(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is SBUVKMRVKDCPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-2-17-12-8-13(18-9-11(15)16)20-14(19-12)10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine?
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 278.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).