4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine

C11H19FN4 — CID 58008581

IUPAC4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
SMILESCC[C@@H](Nc1nc(N)ncc1F)C(C)(C)C
InChIInChI=1S/C11H19FN4/c1-5-8(11(2,3)4)15-9-7(12)6-14-10(13)16-9/h6,8H,5H2,1-4H3,(H3,13,14,15,16)/t8-/m1/s1
InChIKeyDYDXIABGOCOBIY-MRVPVSSYSA-N
MW226.30 g/mol
LogP2.43
Rot. Bonds3

About 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine

4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 58008581) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
PubChem CID58008581
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
SMILESCC[C@@H](Nc1nc(N)ncc1F)C(C)(C)C
InChIInChI=1S/C11H19FN4/c1-5-8(11(2,3)4)15-9-7(12)6-14-10(13)16-9/h6,8H,5H2,1-4H3,(H3,13,14,15,16)/t8-/m1/s1
InChIKeyDYDXIABGOCOBIY-MRVPVSSYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine (CID 58008581) is 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine is CC[C@@H](Nc1nc(N)ncc1F)C(C)(C)C.
What is the InChIKey of 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is DYDXIABGOCOBIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-5-8(11(2,3)4)15-9-7(12)6-14-10(13)16-9/h6,8H,5H2,1-4H3,(H3,13,14,15,16)/t8-/m1/s1.
What are the key properties of 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine?
4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 226.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 58008581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).