4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine

C10H20N4 — CID 152770299

IUPAC4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine
SMILESCC(C)(C)CCC1(N)C=CNC(N)=N1
InChIInChI=1S/C10H20N4/c1-9(2,3)4-5-10(12)6-7-13-8(11)14-10/h6-7H,4-5,12H2,1-3H3,(H3,11,13,14)
InChIKeyFJZSVCHNXDQKGB-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.90
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine

4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine (PubChem CID 152770299) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine
PubChem CID152770299
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine
SMILESCC(C)(C)CCC1(N)C=CNC(N)=N1
InChIInChI=1S/C10H20N4/c1-9(2,3)4-5-10(12)6-7-13-8(11)14-10/h6-7H,4-5,12H2,1-3H3,(H3,11,13,14)
InChIKeyFJZSVCHNXDQKGB-UHFFFAOYSA-N
XLogP0.90
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine (CID 152770299) is 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine is CC(C)(C)CCC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is FJZSVCHNXDQKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(2,3)4-5-10(12)6-7-13-8(11)14-10/h6-7H,4-5,12H2,1-3H3,(H3,11,13,14).
What are the key properties of 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine?
4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152770299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).