6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine

C13H21N3O — CID 43395188

IUPAC6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC2CCCO2)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)13-15-10(3)7-12(16-13)14-8-11-5-4-6-17-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyMXQGUDNACBJQGZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.50
Rot. Bonds4

About 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 43395188) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID43395188
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC2CCCO2)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-9(2)13-15-10(3)7-12(16-13)14-8-11-5-4-6-17-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyMXQGUDNACBJQGZ-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
6-methyl-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 107419098
6-methyl-N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112912455
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912417
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912581
6-methyl-2-N-(oxolan-2-ylmethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112912645
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912410
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912422
2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112870088
2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol
CID 136890725

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine (CID 43395188) is 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCC2CCCO2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is MXQGUDNACBJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)13-15-10(3)7-12(16-13)14-8-11-5-4-6-17-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 43395188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).