4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine

C9H15FN4 — CID 67950741

IUPAC4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(N)ncc1CF
InChIInChI=1S/C9H15FN4/c1-3-6(2)13-8-7(4-10)5-12-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyOSGMFNHOWQEOBC-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.74
Rot. Bonds4

About 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine

4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine (PubChem CID 67950741) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine
PubChem CID67950741
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(N)ncc1CF
InChIInChI=1S/C9H15FN4/c1-3-6(2)13-8-7(4-10)5-12-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyOSGMFNHOWQEOBC-UHFFFAOYSA-N
XLogP1.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine (CID 67950741) is 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine is CCC(C)Nc1nc(N)ncc1CF.
What is the InChIKey of 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is OSGMFNHOWQEOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-3-6(2)13-8-7(4-10)5-12-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine?
4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-5-(fluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67950741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).