5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine

C17H25N5O2 — CID 155471079

IUPAC5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1CN(C)C
InChIInChI=1S/C17H25N5O2/c1-10(2)12-7-13(23-5)11(9-22(3)4)6-14(12)24-15-8-20-17(19)21-16(15)18/h6-8,10H,9H2,1-5H3,(H4,18,19,20,21)
InChIKeyBWRMXONWABGMLE-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.63
Rot. Bonds6

About 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine

5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine (PubChem CID 155471079) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
PubChem CID155471079
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1CN(C)C
InChIInChI=1S/C17H25N5O2/c1-10(2)12-7-13(23-5)11(9-22(3)4)6-14(12)24-15-8-20-17(19)21-16(15)18/h6-8,10H,9H2,1-5H3,(H4,18,19,20,21)
InChIKeyBWRMXONWABGMLE-UHFFFAOYSA-N
XLogP2.63
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-[[amino-(2H-azet-1-ylamino)amino]methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 141260853
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587
1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
CID 57329705
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
CID 57329522
5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 126513190
5-(5-iodo-4-methoxy-2-propan-2-ylphenyl)peroxypyrimidine-2,4-diamine
CID 87725645
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
5-[4-(cyclobutylmethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 177381278
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
CID 147984735
5-[4-methoxy-5-[3-[(methylideneamino)methyl]phenyl]-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 139460674

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine (CID 155471079) is 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine is COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1CN(C)C.
What is the InChIKey of 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The InChIKey is BWRMXONWABGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10(2)12-7-13(23-5)11(9-22(3)4)6-14(12)24-15-8-20-17(19)21-16(15)18/h6-8,10H,9H2,1-5H3,(H4,18,19,20,21).
What are the key properties of 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine has a molecular weight of 331.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 155471079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).