N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine

C14H26N4 — CID 174287463

IUPACN'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine
SMILESCc1nc(NCCCN)c(C(C)C)c(C(C)C)n1
InChIInChI=1S/C14H26N4/c1-9(2)12-13(10(3)4)17-11(5)18-14(12)16-8-6-7-15/h9-10H,6-8,15H2,1-5H3,(H,16,17,18)
InChIKeyATYVIGBFTWGRAV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.79
Rot. Bonds6

About N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine

N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine (PubChem CID 174287463) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine
PubChem CID174287463
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine
SMILESCc1nc(NCCCN)c(C(C)C)c(C(C)C)n1
InChIInChI=1S/C14H26N4/c1-9(2)12-13(10(3)4)17-11(5)18-14(12)16-8-6-7-15/h9-10H,6-8,15H2,1-5H3,(H,16,17,18)
InChIKeyATYVIGBFTWGRAV-UHFFFAOYSA-N
XLogP2.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine (CID 174287463) is N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine is Cc1nc(NCCCN)c(C(C)C)c(C(C)C)n1.
What is the InChIKey of N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine?
The InChIKey is ATYVIGBFTWGRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-9(2)12-13(10(3)4)17-11(5)18-14(12)16-8-6-7-15/h9-10H,6-8,15H2,1-5H3,(H,16,17,18).
What are the key properties of N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine?
N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methyl-5,6-di(propan-2-yl)pyrimidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 174287463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).