6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione

C10H16F2N4O3 — CID 103731300

IUPAC6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H16F2N4O3/c1-2-3-16-8(13)6(9(18)15-10(16)19)14-4-5(17)7(11)12/h5,7,14,17H,2-4,13H2,1H3,(H,15,18,19)
InChIKeyBPMBHJJDIXVJRY-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.43
Rot. Bonds6

About 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione

6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione (PubChem CID 103731300) has the molecular formula C10H16F2N4O3 and a molecular weight of 278.26 g/mol. Its IUPAC name is 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione
PubChem CID103731300
Molecular FormulaC10H16F2N4O3
Molecular Weight278.26 g/mol
Exact Mass278.12
IUPAC Name6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H16F2N4O3/c1-2-3-16-8(13)6(9(18)15-10(16)19)14-4-5(17)7(11)12/h5,7,14,17H,2-4,13H2,1H3,(H,15,18,19)
InChIKeyBPMBHJJDIXVJRY-UHFFFAOYSA-N
XLogP-0.43
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione (CID 103731300) is 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC(O)C(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione?
The InChIKey is BPMBHJJDIXVJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O3/c1-2-3-16-8(13)6(9(18)15-10(16)19)14-4-5(17)7(11)12/h5,7,14,17H,2-4,13H2,1H3,(H,15,18,19).
What are the key properties of 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione has a molecular weight of 278.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103731300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).