N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C14H21N5S — CID 102686498

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCC3CN(C)CCN3C)ncnc12
InChIInChI=1S/C14H21N5S/c1-10-8-20-13-12(10)16-9-17-14(13)15-6-11-7-18(2)4-5-19(11)3/h8-9,11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDBEFCLGXRNLEEF-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.66
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686498) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686498
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCC3CN(C)CCN3C)ncnc12
InChIInChI=1S/C14H21N5S/c1-10-8-20-13-12(10)16-9-17-14(13)15-6-11-7-18(2)4-5-19(11)3/h8-9,11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDBEFCLGXRNLEEF-UHFFFAOYSA-N
XLogP1.66
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 113234222
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 63897136
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80819515
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80819508
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80839219
6-chloro-4-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4,5-diamine
CID 63897975
7-methyl-N-[(2-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686404
N-[(3-chlorocyclopentyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114146588
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687372
3,5-dibromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 113413702
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 63899165

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686498) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCC3CN(C)CCN3C)ncnc12.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DBEFCLGXRNLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-10-8-20-13-12(10)16-9-17-14(13)15-6-11-7-18(2)4-5-19(11)3/h8-9,11H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).