N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine

C16H30N6 — CID 163473373

IUPACN-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)c1nc(C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H30N6/c1-5-7-22(8-6-17-3)16-18-14(2)13-15(19-16)21-11-9-20(4)10-12-21/h13,17H,5-12H2,1-4H3
InChIKeyBYKTULNKFIAQFB-UHFFFAOYSA-N
MW306.46 g/mol
LogP0.97
Rot. Bonds7

About N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine

N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine (PubChem CID 163473373) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine
PubChem CID163473373
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC NameN-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)c1nc(C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H30N6/c1-5-7-22(8-6-17-3)16-18-14(2)13-15(19-16)21-11-9-20(4)10-12-21/h13,17H,5-12H2,1-4H3
InChIKeyBYKTULNKFIAQFB-UHFFFAOYSA-N
XLogP0.97
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909304
1-[4-[2-(dipropylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914871
N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
CID 22418791
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 83726827
N,4-dimethyl-6-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-2-amine
CID 112913848
N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 62742082
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272
6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112926428
4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 27637479
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine (CID 163473373) is N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine is CCCN(CCNC)c1nc(C)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine?
The InChIKey is BYKTULNKFIAQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-5-7-22(8-6-17-3)16-18-14(2)13-15(19-16)21-11-9-20(4)10-12-21/h13,17H,5-12H2,1-4H3.
What are the key properties of N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine?
N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine has a molecular weight of 306.46 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 163473373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).