4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine

C12H22N6O — CID 164642016

IUPAC4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NC[C@H]2CN(C)CCN2C)nc(N)n1
InChIInChI=1S/C12H22N6O/c1-17-4-5-18(2)9(8-17)7-14-10-6-11(19-3)16-12(13)15-10/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)/t9-/m0/s1
InChIKeyNEOIBYUTYMACQX-VIFPVBQESA-N
MW266.35 g/mol
LogP-0.27
Rot. Bonds4

About 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine

4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine (PubChem CID 164642016) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine
PubChem CID164642016
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NC[C@H]2CN(C)CCN2C)nc(N)n1
InChIInChI=1S/C12H22N6O/c1-17-4-5-18(2)9(8-17)7-14-10-6-11(19-3)16-12(13)15-10/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)/t9-/m0/s1
InChIKeyNEOIBYUTYMACQX-VIFPVBQESA-N
XLogP-0.27
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Diamino-6-methoxypyrimidine
CID 816925
6-Methoxy-2-methylpyrimidin-4-amine
CID 549435
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 25269752
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031

Frequently Asked Questions

What is the IUPAC name of 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine (CID 164642016) is 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine is COc1cc(NC[C@H]2CN(C)CCN2C)nc(N)n1.
What is the InChIKey of 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine?
The InChIKey is NEOIBYUTYMACQX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N6O/c1-17-4-5-18(2)9(8-17)7-14-10-6-11(19-3)16-12(13)15-10/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)/t9-/m0/s1.
What are the key properties of 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine?
4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 164642016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).