4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine

C12H20N4O — CID 114113415

IUPAC4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2(CCOC)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-13-10-7-11(16-9-15-10)14-8-12(3-4-12)5-6-17-2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyHCVKURXOCQXPLQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.75
Rot. Bonds7

About 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine

4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114113415) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID114113415
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2(CCOC)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-13-10-7-11(16-9-15-10)14-8-12(3-4-12)5-6-17-2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyHCVKURXOCQXPLQ-UHFFFAOYSA-N
XLogP1.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
CID 114112972
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
CID 114113412
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 104767329
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103794776
2-[1-[[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 133496769
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-nitropyridin-2-amine
CID 103794691
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
CID 113313752
1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80834963

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine (CID 114113415) is 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCC2(CCOC)CC2)ncn1.
What is the InChIKey of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is HCVKURXOCQXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-10-7-11(16-9-15-10)14-8-12(3-4-12)5-6-17-2/h7,9H,3-6,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114113415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).