N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine

C16H31N5 — CID 83179650

IUPACN'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1nc(N(C)CCCN(C)C)ncc1CNC(C)(C)C
InChIInChI=1S/C16H31N5/c1-13-14(12-18-16(2,3)4)11-17-15(19-13)21(7)10-8-9-20(5)6/h11,18H,8-10,12H2,1-7H3
InChIKeyKSLMLGHYDNMWPF-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.06
Rot. Bonds7

About N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 83179650) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID83179650
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1nc(N(C)CCCN(C)C)ncc1CNC(C)(C)C
InChIInChI=1S/C16H31N5/c1-13-14(12-18-16(2,3)4)11-17-15(19-13)21(7)10-8-9-20(5)6/h11,18H,8-10,12H2,1-7H3
InChIKeyKSLMLGHYDNMWPF-UHFFFAOYSA-N
XLogP2.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 83185920
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine
CID 83189627
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 105073949
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
CID 83179612
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine
CID 83186144
N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80637710
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
CID 103340085
5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83178532
1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 83187513

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 83179650) is N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1nc(N(C)CCCN(C)C)ncc1CNC(C)(C)C.
What is the InChIKey of N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is KSLMLGHYDNMWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-13-14(12-18-16(2,3)4)11-17-15(19-13)21(7)10-8-9-20(5)6/h11,18H,8-10,12H2,1-7H3.
What are the key properties of N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 83179650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).