6-pentan-2-yloxypyrimidine-2,4-diamine

C9H16N4O — CID 102989471

IUPAC6-pentan-2-yloxypyrimidine-2,4-diamine
SMILESCCCC(C)Oc1cc(N)nc(N)n1
InChIInChI=1S/C9H16N4O/c1-3-4-6(2)14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13)
InChIKeyMRURLEXILFPCSC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.21
Rot. Bonds4

About 6-pentan-2-yloxypyrimidine-2,4-diamine

6-pentan-2-yloxypyrimidine-2,4-diamine (PubChem CID 102989471) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-pentan-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-pentan-2-yloxypyrimidine-2,4-diamine
PubChem CID102989471
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name6-pentan-2-yloxypyrimidine-2,4-diamine
SMILESCCCC(C)Oc1cc(N)nc(N)n1
InChIInChI=1S/C9H16N4O/c1-3-4-6(2)14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13)
InChIKeyMRURLEXILFPCSC-UHFFFAOYSA-N
XLogP1.21
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-pentan-2-yloxypyrimidin-4-amine
CID 102989352
4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387
6-pentan-2-yloxypyrazin-2-amine
CID 102988494
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
6-octan-2-yloxy-2-propylpyrimidin-4-amine
CID 80949905
4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
CID 80862136
4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989508
6-butan-2-yloxy-2-phenylpyrimidin-4-amine
CID 112559900
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989348
N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 102989343
2-methyl-N-[(2-pentan-2-yloxy-6-propan-2-yl-4-pyridinyl)methyl]propan-2-amine
CID 102985983
6-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406

Frequently Asked Questions

What is the IUPAC name of 6-pentan-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 6-pentan-2-yloxypyrimidine-2,4-diamine (CID 102989471) is 6-pentan-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 6-pentan-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 6-pentan-2-yloxypyrimidine-2,4-diamine is CCCC(C)Oc1cc(N)nc(N)n1.
What is the InChIKey of 6-pentan-2-yloxypyrimidine-2,4-diamine?
The InChIKey is MRURLEXILFPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-6(2)14-8-5-7(10)12-9(11)13-8/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13).
What are the key properties of 6-pentan-2-yloxypyrimidine-2,4-diamine?
6-pentan-2-yloxypyrimidine-2,4-diamine has a molecular weight of 196.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 102989471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).