2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine

C14H27N5 — CID 80817023

IUPAC2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCCCCN(C)C(C)C)n1
InChIInChI=1S/C14H27N5/c1-10(2)19(5)9-7-6-8-16-14-11(3)13(15)17-12(4)18-14/h10H,6-9H2,1-5H3,(H3,15,16,17,18)
InChIKeyNNGNOBGXXKMIAM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.21
Rot. Bonds7

About 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine

2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine (PubChem CID 80817023) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
PubChem CID80817023
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCCCCN(C)C(C)C)n1
InChIInChI=1S/C14H27N5/c1-10(2)19(5)9-7-6-8-16-14-11(3)13(15)17-12(4)18-14/h10H,6-9H2,1-5H3,(H3,15,16,17,18)
InChIKeyNNGNOBGXXKMIAM-UHFFFAOYSA-N
XLogP2.21
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine (CID 80817023) is 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NCCCCN(C)C(C)C)n1.
What is the InChIKey of 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The InChIKey is NNGNOBGXXKMIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-10(2)19(5)9-7-6-8-16-14-11(3)13(15)17-12(4)18-14/h10H,6-9H2,1-5H3,(H3,15,16,17,18).
What are the key properties of 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80817023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).