2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine

C16H31N5 — CID 106042309

IUPAC2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCCN(C)C(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H31N5/c1-12(2)21(7)10-8-9-18-14-11-13(17-6)19-15(20-14)16(3,4)5/h11-12H,8-10H2,1-7H3,(H2,17,18,19,20)
InChIKeyHNQXNAYHWAGTND-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.96
Rot. Bonds7

About 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine

2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine (PubChem CID 106042309) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
PubChem CID106042309
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCCN(C)C(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H31N5/c1-12(2)21(7)10-8-9-18-14-11-13(17-6)19-15(20-14)16(3,4)5/h11-12H,8-10H2,1-7H3,(H2,17,18,19,20)
InChIKeyHNQXNAYHWAGTND-UHFFFAOYSA-N
XLogP2.96
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.96
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-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
3-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118642
N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106767627
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80957506
5-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241594
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
N-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043629

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine (CID 106042309) is 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine is CNc1cc(NCCCN(C)C(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
The InChIKey is HNQXNAYHWAGTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-12(2)21(7)10-8-9-18-14-11-13(17-6)19-15(20-14)16(3,4)5/h11-12H,8-10H2,1-7H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine?
2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106042309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).