4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine

C12H20N4O — CID 82744530

IUPAC4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1N(C)C1CCOC1
InChIInChI=1S/C12H20N4O/c1-8(2)10-11(13)14-7-15-12(10)16(3)9-4-5-17-6-9/h7-9H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyBGHFJLZYKJVULM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.41
Rot. Bonds3

About 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 82744530) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID82744530
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1N(C)C1CCOC1
InChIInChI=1S/C12H20N4O/c1-8(2)10-11(13)14-7-15-12(10)16(3)9-4-5-17-6-9/h7-9H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeyBGHFJLZYKJVULM-UHFFFAOYSA-N
XLogP1.41
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789731
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80789505
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
6-chloro-5-methoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82749328
N-methyl-N-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82739319
5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82748952
6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
CID 82746096
4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 114241708
6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
CID 80889509
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856418
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80906429

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 82744530) is 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1N(C)C1CCOC1.
What is the InChIKey of 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BGHFJLZYKJVULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)10-11(13)14-7-15-12(10)16(3)9-4-5-17-6-9/h7-9H,4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 82744530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).