3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol

C7H10F2N4O — CID 106174497

IUPAC3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1ccnc(NCC(F)(F)CO)n1
InChIInChI=1S/C7H10F2N4O/c8-7(9,4-14)3-12-6-11-2-1-5(10)13-6/h1-2,14H,3-4H2,(H3,10,11,12,13)
InChIKeyMRZNNJPSSBECKA-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.10
Rot. Bonds4

About 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol

3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106174497) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106174497
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESNc1ccnc(NCC(F)(F)CO)n1
InChIInChI=1S/C7H10F2N4O/c8-7(9,4-14)3-12-6-11-2-1-5(10)13-6/h1-2,14H,3-4H2,(H3,10,11,12,13)
InChIKeyMRZNNJPSSBECKA-UHFFFAOYSA-N
XLogP0.10
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol (CID 106174497) is 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol is Nc1ccnc(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is MRZNNJPSSBECKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c8-7(9,4-14)3-12-6-11-2-1-5(10)13-6/h1-2,14H,3-4H2,(H3,10,11,12,13).
What are the key properties of 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol?
3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 204.18 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106174497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).