6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

C12H22N4O — CID 112855261

IUPAC6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(NCC(C)C)ncn1
InChIInChI=1S/C12H22N4O/c1-10(2)8-14-12-7-11(15-9-16-12)13-5-4-6-17-3/h7,9-10H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyMLADPTSTVBJXAW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds8

About 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112855261) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112855261
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCOCCCNc1cc(NCC(C)C)ncn1
InChIInChI=1S/C12H22N4O/c1-10(2)8-14-12-7-11(15-9-16-12)13-5-4-6-17-3/h7,9-10H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyMLADPTSTVBJXAW-UHFFFAOYSA-N
XLogP1.99
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.99
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

6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855321
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 2073637
6-N-(3-methoxypropyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112856928
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856969
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341012
4-N-(1,1-dioxothiolan-3-yl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856867
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856838

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112855261) is 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is COCCCNc1cc(NCC(C)C)ncn1.
What is the InChIKey of 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is MLADPTSTVBJXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)8-14-12-7-11(15-9-16-12)13-5-4-6-17-3/h7,9-10H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).