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

C14H27N5 — CID 80935114

IUPAC2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCCCCN(C)C(C)C)n1
InChIInChI=1S/C14H27N5/c1-5-13-17-12(15)10-14(18-13)16-8-6-7-9-19(4)11(2)3/h10-11H,5-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyUHBDWTKQKMIENO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds8

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

2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine (PubChem CID 80935114) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
PubChem CID80935114
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCCCCN(C)C(C)C)n1
InChIInChI=1S/C14H27N5/c1-5-13-17-12(15)10-14(18-13)16-8-6-7-9-19(4)11(2)3/h10-11H,5-9H2,1-4H3,(H3,15,16,17,18)
InChIKeyUHBDWTKQKMIENO-UHFFFAOYSA-N
XLogP2.15
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
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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Related Compounds

2-tert-butyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80967129
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
6-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718227
N-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80937853
4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80816494
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80936890
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
N-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043629
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 136975212
2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 80934673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine (CID 80935114) is 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine is CCc1nc(N)cc(NCCCCN(C)C(C)C)n1.
What is the InChIKey of 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
The InChIKey is UHBDWTKQKMIENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-13-17-12(15)10-14(18-13)16-8-6-7-9-19(4)11(2)3/h10-11H,5-9H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine?
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80935114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).