4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine

C7H11F3N4 — CID 150480683

IUPAC4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine
SMILESCC(C(F)(F)F)C1(N)C=C(N)NC=N1
InChIInChI=1S/C7H11F3N4/c1-4(7(8,9)10)6(12)2-5(11)13-3-14-6/h2-4H,11-12H2,1H3,(H,13,14)
InChIKeyHTTFNPAOERNONA-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.27
Rot. Bonds1

About 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine

4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine (PubChem CID 150480683) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine
PubChem CID150480683
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine
SMILESCC(C(F)(F)F)C1(N)C=C(N)NC=N1
InChIInChI=1S/C7H11F3N4/c1-4(7(8,9)10)6(12)2-5(11)13-3-14-6/h2-4H,11-12H2,1H3,(H,13,14)
InChIKeyHTTFNPAOERNONA-UHFFFAOYSA-N
XLogP0.27
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine (CID 150480683) is 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine is CC(C(F)(F)F)C1(N)C=C(N)NC=N1.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine?
The InChIKey is HTTFNPAOERNONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-4(7(8,9)10)6(12)2-5(11)13-3-14-6/h2-4H,11-12H2,1H3,(H,13,14).
What are the key properties of 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine?
4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine has a molecular weight of 208.19 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4,6-diamine is sourced from PubChem (CID 150480683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).