5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine

C10H18N6O — CID 83027699

IUPAC5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCOc1c(N)ncnc1NN1CCN(C)CC1
InChIInChI=1S/C10H18N6O/c1-15-3-5-16(6-4-15)14-10-8(17-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyUQEOOHAJAYWLAU-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.36
Rot. Bonds3

About 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine

5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine (PubChem CID 83027699) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
PubChem CID83027699
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCOc1c(N)ncnc1NN1CCN(C)CC1
InChIInChI=1S/C10H18N6O/c1-15-3-5-16(6-4-15)14-10-8(17-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyUQEOOHAJAYWLAU-UHFFFAOYSA-N
XLogP-0.36
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methoxy-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129175
4-Hydrazinyl-5-methoxypyrimidine
CID 13721402
N-ethyl-6-hydrazinyl-5-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 81726266
N-cyclopropyl-6-hydrazinyl-5-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 81726582
6-hydrazinyl-5-methoxy-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 81726658
6-hydrazinyl-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 81726716
6-hydrazinyl-5-methoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 81726730
5-Methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine
CID 81728367
6-hydrazinyl-5-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 81731825
[5-Methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 81731961
6-hydrazinyl-5-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81732585
[5-Methoxy-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 81732727

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine (CID 83027699) is 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine is COc1c(N)ncnc1NN1CCN(C)CC1.
What is the InChIKey of 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is UQEOOHAJAYWLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-15-3-5-16(6-4-15)14-10-8(17-2)9(11)12-7-13-10/h7H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 238.29 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 83027699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).